3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile

C11H7ClN2S — CID 10988209

IUPAC3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
SMILESCc1cccc(-c2snc(Cl)c2C#N)c1
InChIInChI=1S/C11H7ClN2S/c1-7-3-2-4-8(5-7)10-9(6-13)11(12)14-15-10/h2-5H,1H3
InChIKeyALLXZDRSMDXMRB-UHFFFAOYSA-N
MW234.71 g/mol
LogP3.64
Rot. Bonds1

About 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile

3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile (PubChem CID 10988209) has the molecular formula C11H7ClN2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
PubChem CID10988209
Molecular FormulaC11H7ClN2S
Molecular Weight234.71 g/mol
Exact Mass234.00
IUPAC Name3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
SMILESCc1cccc(-c2snc(Cl)c2C#N)c1
InChIInChI=1S/C11H7ClN2S/c1-7-3-2-4-8(5-7)10-9(6-13)11(12)14-15-10/h2-5H,1H3
InChIKeyALLXZDRSMDXMRB-UHFFFAOYSA-N
XLogP3.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile (CID 10988209) is 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile is Cc1cccc(-c2snc(Cl)c2C#N)c1.
What is the InChIKey of 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is ALLXZDRSMDXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2S/c1-7-3-2-4-8(5-7)10-9(6-13)11(12)14-15-10/h2-5H,1H3.
What are the key properties of 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 234.71 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 10988209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).