1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene

C58H73FN4S2 — CID 159263346

IUPAC1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene
SMILESC.C=C1c2sccc2C=CN1C(C)C.C=C1c2scnc2C=CN1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1cc(C)c(C(C)C)cc1F.Cc1cc2ccccc2cc1C(C)C
InChIInChI=1S/C14H16.C11H15F.C11H13NS.C11H13N.C10H12N2S.CH4/c1-10(2)14-9-13-7-5-4-6-12(13)8-11(14)3;1-7(2)10-6-11(12)9(4)5-8(10)3;1-8(2)12-6-4-10-5-7-13-11(10)9(12)3;1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)12-5-4-9-10(8(12)3)13-6-11-9;/h4-10H,1-3H3;5-7H,1-4H3;4-8H,3H2,1-2H3;4-6,8H,1-3H3;4-7H,3H2,1-2H3;1H4
InChIKeyKWUCHNVYVYQQLE-UHFFFAOYSA-N
MW909.38 g/mol
LogP17.69
Rot. Bonds5

About 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene

1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene (PubChem CID 159263346) has the molecular formula C58H73FN4S2 and a molecular weight of 909.38 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene
PubChem CID159263346
Molecular FormulaC58H73FN4S2
Molecular Weight909.38 g/mol
Exact Mass908.53
IUPAC Name1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene
SMILESC.C=C1c2sccc2C=CN1C(C)C.C=C1c2scnc2C=CN1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1cc(C)c(C(C)C)cc1F.Cc1cc2ccccc2cc1C(C)C
InChIInChI=1S/C14H16.C11H15F.C11H13NS.C11H13N.C10H12N2S.CH4/c1-10(2)14-9-13-7-5-4-6-12(13)8-11(14)3;1-7(2)10-6-11(12)9(4)5-8(10)3;1-8(2)12-6-4-10-5-7-13-11(10)9(12)3;1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)12-5-4-9-10(8(12)3)13-6-11-9;/h4-10H,1-3H3;5-7H,1-4H3;4-8H,3H2,1-2H3;4-6,8H,1-3H3;4-7H,3H2,1-2H3;1H4
InChIKeyKWUCHNVYVYQQLE-UHFFFAOYSA-N
XLogP17.69
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.38
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene?
The IUPAC name of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene (CID 159263346) is 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene.
What is the SMILES notation for 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene?
The canonical SMILES for 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene is C.C=C1c2sccc2C=CN1C(C)C.C=C1c2scnc2C=CN1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1cc(C)c(C(C)C)cc1F.Cc1cc2ccccc2cc1C(C)C.
What is the InChIKey of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene?
The InChIKey is KWUCHNVYVYQQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C11H15F.C11H13NS.C11H13N.C10H12N2S.CH4/c1-10(2)14-9-13-7-5-4-6-12(13)8-11(14)3;1-7(2)10-6-11(12)9(4)5-8(10)3;1-8(2)12-6-4-10-5-7-13-11(10)9(12)3;1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)12-5-4-9-10(8(12)3)13-6-11-9;/h4-10H,1-3H3;5-7H,1-4H3;4-8H,3H2,1-2H3;4-6,8H,1-3H3;4-7H,3H2,1-2H3;1H4.
What are the key properties of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene?
1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene has a molecular weight of 909.38 g/mol, XLogP of 17.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene is sourced from PubChem (CID 159263346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).