N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide

C16H13ClN4OS — CID 2215490

IUPACN-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cn3)n2)c1
InChIInChI=1S/C16H13ClN4OS/c1-10(22)19-13-4-2-3-11(7-13)14-9-23-16(20-14)21-15-6-5-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyOOCHFNLDDBDATH-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.56
Rot. Bonds4

About N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 2215490) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID2215490
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC NameN-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cn3)n2)c1
InChIInChI=1S/C16H13ClN4OS/c1-10(22)19-13-4-2-3-11(7-13)14-9-23-16(20-14)21-15-6-5-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyOOCHFNLDDBDATH-UHFFFAOYSA-N
XLogP4.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Stf-62247
CID 704473
N-(2-chloro-6-methylphenyl)-2-[(6-methylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911345
N-(2-chloro-6-methylphenyl)-2-[(4-methylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911623
N-(5-chloropyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 973099
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
N-(5-chloropyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329395
5-Chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10450103
N-(2-chloro-6-methylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911266
N-(2-chloro-6-methylphenyl)-2-[(4,6-dimethylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911338
N-alkylamide derivative 1
CID 118204326

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 2215490) is N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cn3)n2)c1.
What is the InChIKey of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is OOCHFNLDDBDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-10(22)19-13-4-2-3-11(7-13)14-9-23-16(20-14)21-15-6-5-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 344.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2215490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).