4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile

C12H10N2S2 — CID 62301626

IUPAC4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1ccc(C#N)c(Sc2nc(C)cs2)c1
InChIInChI=1S/C12H10N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h3-5,7H,1-2H3
InChIKeyQHWRDUPOPHJFTO-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.78
Rot. Bonds2

About 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile (PubChem CID 62301626) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
PubChem CID62301626
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1ccc(C#N)c(Sc2nc(C)cs2)c1
InChIInChI=1S/C12H10N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h3-5,7H,1-2H3
InChIKeyQHWRDUPOPHJFTO-UHFFFAOYSA-N
XLogP3.78
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 28602391
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)benzonitrile
CID 43331177
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-methylbenzonitrile
CID 62305307
2-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 104717521
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-4-methylbenzonitrile
CID 62302645
3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 55219011
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzonitrile
CID 113256504
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile
CID 63884121
2-[2-(2-cyano-5-methylphenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 62307571
4-methyl-2-(3-methylphenyl)sulfanylbenzonitrile
CID 63538453
2-[5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057613
4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 25496142

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile (CID 62301626) is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile is Cc1ccc(C#N)c(Sc2nc(C)cs2)c1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
The InChIKey is QHWRDUPOPHJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h3-5,7H,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile has a molecular weight of 246.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile is sourced from PubChem (CID 62301626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).