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

C11H7ClN2OS — CID 10890350

IUPAC3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile
SMILESCOc1ccccc1-c1snc(Cl)c1C#N
InChIInChI=1S/C11H7ClN2OS/c1-15-9-5-3-2-4-7(9)10-8(6-13)11(12)14-16-10/h2-5H,1H3
InChIKeyZUQDPDFADNOSIQ-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.34
Rot. Bonds2

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

3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile (PubChem CID 10890350) has the molecular formula C11H7ClN2OS and a molecular weight of 250.71 g/mol. Its IUPAC name is 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile
PubChem CID10890350
Molecular FormulaC11H7ClN2OS
Molecular Weight250.71 g/mol
Exact Mass250.00
IUPAC Name3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile
SMILESCOc1ccccc1-c1snc(Cl)c1C#N
InChIInChI=1S/C11H7ClN2OS/c1-15-9-5-3-2-4-7(9)10-8(6-13)11(12)14-16-10/h2-5H,1H3
InChIKeyZUQDPDFADNOSIQ-UHFFFAOYSA-N
XLogP3.34
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile (CID 10890350) is 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile is COc1ccccc1-c1snc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is ZUQDPDFADNOSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2OS/c1-15-9-5-3-2-4-7(9)10-8(6-13)11(12)14-16-10/h2-5H,1H3.
What are the key properties of 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 250.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 10890350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).