2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide

C8H9ClN4O2S2 — CID 65231952

IUPAC2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cnc(Cl)s1
InChIInChI=1S/C8H9ClN4O2S2/c9-8-11-4-7(16-8)17(14,15)13-2-1-6-3-10-5-12-6/h3-5,13H,1-2H2,(H,10,12)
InChIKeyRNEXRSOBSRWIAI-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.04
Rot. Bonds5

About 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 65231952) has the molecular formula C8H9ClN4O2S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID65231952
Molecular FormulaC8H9ClN4O2S2
Molecular Weight292.77 g/mol
Exact Mass291.99
IUPAC Name2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cnc(Cl)s1
InChIInChI=1S/C8H9ClN4O2S2/c9-8-11-4-7(16-8)17(14,15)13-2-1-6-3-10-5-12-6/h3-5,13H,1-2H2,(H,10,12)
InChIKeyRNEXRSOBSRWIAI-UHFFFAOYSA-N
XLogP1.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231103
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106396401
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65230688
2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231462
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzenesulfonamide
CID 40559388
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 63330108
2-chloro-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43566269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide (CID 65231952) is 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is RNEXRSOBSRWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S2/c9-8-11-4-7(16-8)17(14,15)13-2-1-6-3-10-5-12-6/h3-5,13H,1-2H2,(H,10,12).
What are the key properties of 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 292.77 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 65231952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).