2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C107H144ClF2N9S7 — CID 167624638

IUPAC2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)s1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)n1cccc1.Cc1ccc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)s1.[C-]#[N+]c1cccc(C(C)C)c1
InChIInChI=1S/C10H11N.C9H11F.C9H12.C8H9NS.2C8H11N.C8H12S.C7H9ClS.C7H9FS.C7H10N2.C7H11N.C7H10S.2C6H9NS/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8(9-3)10-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7(8)9-6;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h4-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyMXOWUZABHWOGOJ-UHFFFAOYSA-N
MW1854.31 g/mol
LogP37.74
Rot. Bonds14

About 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 167624638) has the molecular formula C107H144ClF2N9S7 and a molecular weight of 1854.31 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
PubChem CID167624638
Molecular FormulaC107H144ClF2N9S7
Molecular Weight1854.31 g/mol
Exact Mass1851.92
IUPAC Name2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)s1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)n1cccc1.Cc1ccc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)s1.[C-]#[N+]c1cccc(C(C)C)c1
InChIInChI=1S/C10H11N.C9H11F.C9H12.C8H9NS.2C8H11N.C8H12S.C7H9ClS.C7H9FS.C7H10N2.C7H11N.C7H10S.2C6H9NS/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8(9-3)10-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7(8)9-6;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h4-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyMXOWUZABHWOGOJ-UHFFFAOYSA-N
XLogP37.74
TPSA90.99 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.31
LogP ≤ 537.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene with MolForge

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Related Compounds

Tert-butylbenzene;4-tert-butyl-5-chloro-1,3-thiazole;1-tert-butyl-2-fluorobenzene;2-tert-butyl-6-fluoropyrazine;2-tert-butyl-5-fluoropyrimidine;2-tert-butyl-5-methylpyridine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole
CID 157552146
2-Bromo-5-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)pyridine;2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-methylpyridine;5-(2,2-dimethylpropyl)-2-methylpyrimidine;5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;5-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-thiazole
CID 159545511
cumene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 161192688
Tert-butylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;ethane
CID 162101336
2-Chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 167563197
Cumene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 167582957
2-Chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;2-propan-2-ylthiophene
CID 167681629

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The IUPAC name of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 167624638) is 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.
What is the SMILES notation for 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The canonical SMILES for 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)s1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccsn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)n1cccc1.Cc1ccc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)s1.[C-]#[N+]c1cccc(C(C)C)c1.
What is the InChIKey of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The InChIKey is MXOWUZABHWOGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H11F.C9H12.C8H9NS.2C8H11N.C8H12S.C7H9ClS.C7H9FS.C7H10N2.C7H11N.C7H10S.2C6H9NS/c1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-5-8(9-3)10-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;2*1-5(2)6-3-4-7(8)9-6;1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-8-7-6/h4-8H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;4-6H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1854.31 g/mol, XLogP of 37.74, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylthiophene;cumene;1-fluoro-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylthiophene;1-isocyano-3-propan-2-ylbenzene;2-isocyano-5-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 167624638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).