2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole

C24H38ClN7OS — CID 160794119

IUPAC2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole
SMILESCC(C)c1ccc(Cl)s1.CC(C)c1nn[nH]n1.CC(C)n1cccc1.Cc1nc(C(C)C)no1
InChIInChI=1S/C7H9ClS.C7H11N.C6H10N2O.C4H8N4/c1-5(2)6-3-4-7(8)9-6;1-7(2)8-5-3-4-6-8;1-4(2)6-7-5(3)9-8-6;1-3(2)4-5-7-8-6-4/h3-5H,1-2H3;3-7H,1-2H3;4H,1-3H3;3H,1-2H3,(H,5,6,7,8)
InChIKeySCFDCLKVYCLENH-UHFFFAOYSA-N
MW508.14 g/mol
LogP7.42
Rot. Bonds4

About 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole

2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole (PubChem CID 160794119) has the molecular formula C24H38ClN7OS and a molecular weight of 508.14 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole
PubChem CID160794119
Molecular FormulaC24H38ClN7OS
Molecular Weight508.14 g/mol
Exact Mass507.25
IUPAC Name2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole
SMILESCC(C)c1ccc(Cl)s1.CC(C)c1nn[nH]n1.CC(C)n1cccc1.Cc1nc(C(C)C)no1
InChIInChI=1S/C7H9ClS.C7H11N.C6H10N2O.C4H8N4/c1-5(2)6-3-4-7(8)9-6;1-7(2)8-5-3-4-6-8;1-4(2)6-7-5(3)9-8-6;1-3(2)4-5-7-8-6-4/h3-5H,1-2H3;3-7H,1-2H3;4H,1-3H3;3H,1-2H3,(H,5,6,7,8)
InChIKeySCFDCLKVYCLENH-UHFFFAOYSA-N
XLogP7.42
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.14
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole with MolForge

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Related Compounds

5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)thiophene;3-methyl-1-propan-2-ylpyrrole;1-propan-2-ylpyrrole
CID 162065028
ethane;furan;tris(2-methylpropane);5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1H-pyrrole;thiophene
CID 162158797
(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 97088649
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95339858
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65039022
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804
N-[(6-bromo-2-pyridinyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 112582004
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyltetrazol-5-amine
CID 63150290
5-[bis(4-chlorophenoxy)methyl]-2H-tetrazole
CID 125486112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole?
The IUPAC name of 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole (CID 160794119) is 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole.
What is the SMILES notation for 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole?
The canonical SMILES for 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole is CC(C)c1ccc(Cl)s1.CC(C)c1nn[nH]n1.CC(C)n1cccc1.Cc1nc(C(C)C)no1.
What is the InChIKey of 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole?
The InChIKey is SCFDCLKVYCLENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClS.C7H11N.C6H10N2O.C4H8N4/c1-5(2)6-3-4-7(8)9-6;1-7(2)8-5-3-4-6-8;1-4(2)6-7-5(3)9-8-6;1-3(2)4-5-7-8-6-4/h3-5H,1-2H3;3-7H,1-2H3;4H,1-3H3;3H,1-2H3,(H,5,6,7,8).
What are the key properties of 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole?
2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole has a molecular weight of 508.14 g/mol, XLogP of 7.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole is sourced from PubChem (CID 160794119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).