N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C17H14ClN3OS2 — CID 47029696

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H14ClN3OS2/c18-14-6-2-1-5-13(14)15-10-24-17(20-15)21-16(22)11-23-9-12-4-3-7-19-8-12/h1-8,10H,9,11H2,(H,20,21,22)
InChIKeyZTKMEJWFDHYIQH-UHFFFAOYSA-N
MW375.91 g/mol
LogP4.73
Rot. Bonds6

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 47029696) has the molecular formula C17H14ClN3OS2 and a molecular weight of 375.91 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID47029696
Molecular FormulaC17H14ClN3OS2
Molecular Weight375.91 g/mol
Exact Mass375.03
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H14ClN3OS2/c18-14-6-2-1-5-13(14)15-10-24-17(20-15)21-16(22)11-23-9-12-4-3-7-19-8-12/h1-8,10H,9,11H2,(H,20,21,22)
InChIKeyZTKMEJWFDHYIQH-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 60571186
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
methyl 2-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 47070400
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 78803762
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 35966048
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
CID 174603379
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
(Z)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 46235790
7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
CID 119676852
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 47029696) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is O=C(CSCc1cccnc1)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is ZTKMEJWFDHYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS2/c18-14-6-2-1-5-13(14)15-10-24-17(20-15)21-16(22)11-23-9-12-4-3-7-19-8-12/h1-8,10H,9,11H2,(H,20,21,22).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 375.91 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 47029696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).