2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C10H13ClN4O2S2 — CID 61053227

IUPAC2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C10H13ClN4O2S2/c1-7(5-15-4-3-12-6-15)14-19(16,17)9-8(2)13-10(11)18-9/h3-4,6-7,14H,5H2,1-2H3
InChIKeySCHJMVBBIIRHRH-UHFFFAOYSA-N
MW320.83 g/mol
LogP1.67
Rot. Bonds5

About 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61053227) has the molecular formula C10H13ClN4O2S2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61053227
Molecular FormulaC10H13ClN4O2S2
Molecular Weight320.83 g/mol
Exact Mass320.02
IUPAC Name2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C10H13ClN4O2S2/c1-7(5-15-4-3-12-6-15)14-19(16,17)9-8(2)13-10(11)18-9/h3-4,6-7,14H,5H2,1-2H3
InChIKeySCHJMVBBIIRHRH-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-chloro-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
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4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
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CID 81242155
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
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5-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80731453
4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
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2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61053227) is 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(C)Cn1ccnc1.
What is the InChIKey of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is SCHJMVBBIIRHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S2/c1-7(5-15-4-3-12-6-15)14-19(16,17)9-8(2)13-10(11)18-9/h3-4,6-7,14H,5H2,1-2H3.
What are the key properties of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 320.83 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61053227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).