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

C10H13ClN4O2S2 — CID 43456215

IUPAC2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C10H13ClN4O2S2/c1-8-9(18-10(11)14-8)19(16,17)13-3-2-5-15-6-4-12-7-15/h4,6-7,13H,2-3,5H2,1H3
InChIKeyXQALBPVJSYIHDF-UHFFFAOYSA-N
MW320.83 g/mol
LogP1.67
Rot. Bonds6

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

2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43456215) has the molecular formula C10H13ClN4O2S2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43456215
Molecular FormulaC10H13ClN4O2S2
Molecular Weight320.83 g/mol
Exact Mass320.02
IUPAC Name2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C10H13ClN4O2S2/c1-8-9(18-10(11)14-8)19(16,17)13-3-2-5-15-6-4-12-7-15/h4,6-7,13H,2-3,5H2,1H3
InChIKeyXQALBPVJSYIHDF-UHFFFAOYSA-N
XLogP1.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-imidazol-1-ylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053227
2-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 61052463
5-(aminomethyl)-N-(3-imidazol-1-ylpropyl)-2-methylthiophene-3-sulfonamide
CID 106029787
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
2-chloro-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 79471965
N-(3-imidazol-1-ylpropyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029752
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43456215) is 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is XQALBPVJSYIHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S2/c1-8-9(18-10(11)14-8)19(16,17)13-3-2-5-15-6-4-12-7-15/h4,6-7,13H,2-3,5H2,1H3.
What are the key properties of 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 320.83 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).