2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide

C15H16ClN3O2S — CID 131937813

IUPAC2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)Cc2csc(C)n2)cc1Cl
InChIInChI=1S/C15H16ClN3O2S/c1-3-17-15(21)12-5-4-10(6-13(12)16)19-14(20)7-11-8-22-9(2)18-11/h4-6,8H,3,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAXERUVCAKTUMTD-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.04
Rot. Bonds5

About 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide

2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide (PubChem CID 131937813) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
PubChem CID131937813
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)Cc2csc(C)n2)cc1Cl
InChIInChI=1S/C15H16ClN3O2S/c1-3-17-15(21)12-5-4-10(6-13(12)16)19-14(20)7-11-8-22-9(2)18-11/h4-6,8H,3,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAXERUVCAKTUMTD-UHFFFAOYSA-N
XLogP3.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 71916844
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 39170378
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 60547951
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 55877767
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
CID 55888660
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455630
2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55673130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide (CID 131937813) is 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)Cc2csc(C)n2)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The InChIKey is AXERUVCAKTUMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-3-17-15(21)12-5-4-10(6-13(12)16)19-14(20)7-11-8-22-9(2)18-11/h4-6,8H,3,7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide has a molecular weight of 337.83 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 131937813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).