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

C16H18ClN3O3S — CID 55659567

IUPAC2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
SMILESCc1csc(=O)n1CCC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-11-10-24-16(23)20(11)9-6-14(21)18-7-8-19-15(22)12-4-2-3-5-13(12)17/h2-5,10H,6-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyPAAAQHGCHUMJHD-UHFFFAOYSA-N
MW367.86 g/mol
LogP1.81
Rot. Bonds7

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

2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide (PubChem CID 55659567) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
PubChem CID55659567
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
SMILESCc1csc(=O)n1CCC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-11-10-24-16(23)20(11)9-6-14(21)18-7-8-19-15(22)12-4-2-3-5-13(12)17/h2-5,10H,6-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyPAAAQHGCHUMJHD-UHFFFAOYSA-N
XLogP1.81
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 27164511
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
CID 17429509
2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]-N-prop-2-enylbenzamide
CID 38079822
3-[2-(2-chlorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62025800
2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
CID 55659401
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide (CID 55659567) is 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide is Cc1csc(=O)n1CCC(=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide?
The InChIKey is PAAAQHGCHUMJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-11-10-24-16(23)20(11)9-6-14(21)18-7-8-19-15(22)12-4-2-3-5-13(12)17/h2-5,10H,6-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide?
2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide has a molecular weight of 367.86 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 55659567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).