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

C11H7ClN2S2 — CID 55219011

IUPAC3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1csc(Sc2ccc(C#N)cc2Cl)n1
InChIInChI=1S/C11H7ClN2S2/c1-7-6-15-11(14-7)16-10-3-2-8(5-13)4-9(10)12/h2-4,6H,1H3
InChIKeyJEOADHZKFGHQEM-UHFFFAOYSA-N
MW266.78 g/mol
LogP4.13
Rot. Bonds2

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

3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile (PubChem CID 55219011) has the molecular formula C11H7ClN2S2 and a molecular weight of 266.78 g/mol. Its IUPAC name is 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
PubChem CID55219011
Molecular FormulaC11H7ClN2S2
Molecular Weight266.78 g/mol
Exact Mass265.97
IUPAC Name3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1csc(Sc2ccc(C#N)cc2Cl)n1
InChIInChI=1S/C11H7ClN2S2/c1-7-6-15-11(14-7)16-10-3-2-8(5-13)4-9(10)12/h2-4,6H,1H3
InChIKeyJEOADHZKFGHQEM-UHFFFAOYSA-N
XLogP4.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(1,3-thiazol-2-ylsulfanyl)benzonitrile
CID 55219157
3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile
CID 113298615
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 62301626
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzonitrile
CID 114483968
3-chloro-4-(4,6-diaminopyrimidin-2-yl)sulfanylbenzonitrile
CID 63086721
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
3-chloro-4-(4-chlorophenyl)sulfanylbenzonitrile
CID 63538752
3-chloro-4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 102664604
2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119309266
2-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 104717521
3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 63089221

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
The IUPAC name of 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile (CID 55219011) is 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
The canonical SMILES for 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile is Cc1csc(Sc2ccc(C#N)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
The InChIKey is JEOADHZKFGHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2S2/c1-7-6-15-11(14-7)16-10-3-2-8(5-13)4-9(10)12/h2-4,6H,1H3.
What are the key properties of 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile?
3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile has a molecular weight of 266.78 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile is sourced from PubChem (CID 55219011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).