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

C17H14ClN3OS — CID 25343258

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NCc1cccnc1
InChIInChI=1S/C17H14ClN3OS/c18-15-6-2-1-5-14(15)17-21-13(11-23-17)8-16(22)20-10-12-4-3-7-19-9-12/h1-7,9,11H,8,10H2,(H,20,22)
InChIKeyHMFYJZUOAWCQEX-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.72
Rot. Bonds5

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 25343258) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID25343258
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NCc1cccnc1
InChIInChI=1S/C17H14ClN3OS/c18-15-6-2-1-5-14(15)17-21-13(11-23-17)8-16(22)20-10-12-4-3-7-19-9-12/h1-7,9,11H,8,10H2,(H,20,22)
InChIKeyHMFYJZUOAWCQEX-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 86907201
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110342205
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 99171388
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 35852342
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 36675806
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 43043523
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825809
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 78867437
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 25343258) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1cccnc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HMFYJZUOAWCQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-15-6-2-1-5-14(15)17-21-13(11-23-17)8-16(22)20-10-12-4-3-7-19-9-12/h1-7,9,11H,8,10H2,(H,20,22).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 343.84 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 25343258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).