5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide

C10H13ClN4O2S2 — CID 113431393

IUPAC5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1ncn(C)c1Cl)c1nccs1
InChIInChI=1S/C10H13ClN4O2S2/c1-7(9-12-3-4-18-9)5-14-19(16,17)10-8(11)15(2)6-13-10/h3-4,6-7,14H,5H2,1-2H3
InChIKeyXIJGGMZZQLVCDG-UHFFFAOYSA-N
MW320.83 g/mol
LogP1.61
Rot. Bonds5

About 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide (PubChem CID 113431393) has the molecular formula C10H13ClN4O2S2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
PubChem CID113431393
Molecular FormulaC10H13ClN4O2S2
Molecular Weight320.83 g/mol
Exact Mass320.02
IUPAC Name5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1ncn(C)c1Cl)c1nccs1
InChIInChI=1S/C10H13ClN4O2S2/c1-7(9-12-3-4-18-9)5-14-19(16,17)10-8(11)15(2)6-13-10/h3-4,6-7,14H,5H2,1-2H3
InChIKeyXIJGGMZZQLVCDG-UHFFFAOYSA-N
XLogP1.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 56593797
6-chloro-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55173593
6-chloro-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79040422
6-chloro-N-(4,4,4-trifluorobutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 104854794
N-[rel-(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide hydrochloride
CID 56861632
5-Tert-butylsulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
CID 58911737
N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339305
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4-ethyl-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339314
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N',4,4-trimethyl-3H-pyrazole-2-carboximidamide
CID 59339336
N'-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide
CID 59339402
N-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-N'-ethyl-4,4-dimethyl-3H-pyrazole-2-carboximidamide
CID 59339433
6-chloro-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 59443437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide (CID 113431393) is 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide is CC(CNS(=O)(=O)c1ncn(C)c1Cl)c1nccs1.
What is the InChIKey of 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide?
The InChIKey is XIJGGMZZQLVCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S2/c1-7(9-12-3-4-18-9)5-14-19(16,17)10-8(11)15(2)6-13-10/h3-4,6-7,14H,5H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide has a molecular weight of 320.83 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide is sourced from PubChem (CID 113431393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).