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

C16H13ClN4OS — CID 972726

IUPACN-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1
InChIInChI=1S/C16H13ClN4OS/c1-10(22)19-13-5-2-11(3-6-13)14-9-23-16(20-14)21-15-7-4-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyUDSNOORISARPQX-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.56
Rot. Bonds4

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

N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 972726) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID972726
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC NameN-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1
InChIInChI=1S/C16H13ClN4OS/c1-10(22)19-13-5-2-11(3-6-13)14-9-23-16(20-14)21-15-7-4-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyUDSNOORISARPQX-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 972726) is N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1.
What is the InChIKey of N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is UDSNOORISARPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-10(22)19-13-5-2-11(3-6-13)14-9-23-16(20-14)21-15-7-4-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[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-[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 972726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).