2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide

C9H14ClN3O3S2 — CID 61046163

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O3S2/c1-3-4-13(6-7(14)11-2)18(15,16)8-5-12-9(10)17-8/h5H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyRWUFWGKDOMRABS-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.94
Rot. Bonds6

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide (PubChem CID 61046163) has the molecular formula C9H14ClN3O3S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
PubChem CID61046163
Molecular FormulaC9H14ClN3O3S2
Molecular Weight311.82 g/mol
Exact Mass311.02
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O3S2/c1-3-4-13(6-7(14)11-2)18(15,16)8-5-12-9(10)17-8/h5H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyRWUFWGKDOMRABS-UHFFFAOYSA-N
XLogP0.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61046141
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
2-(Acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
CID 22245084
5-Sulfamoyl-1,3-thiazole-2-carboxamide
CID 67218803
N-[2-(5-sulfinamoyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 153588475
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
1-[4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
CID 43427516
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 43455786
2-chloro-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-sulfonamide
CID 43455790
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
CID 43455967

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide (CID 61046163) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
The InChIKey is RWUFWGKDOMRABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S2/c1-3-4-13(6-7(14)11-2)18(15,16)8-5-12-9(10)17-8/h5H,3-4,6H2,1-2H3,(H,11,14).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide has a molecular weight of 311.82 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 61046163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).