5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide

C15H12ClN3O2S3 — CID 121149444

IUPAC5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClN3O2S3/c16-13-5-6-14(23-13)24(20,21)18-11-4-2-1-3-10(11)12-9-19-7-8-22-15(19)17-12/h1-6,9,18H,7-8H2
InChIKeyWXEIBZLVLPYQAH-UHFFFAOYSA-N
MW397.93 g/mol
LogP4.17
Rot. Bonds4

About 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 121149444) has the molecular formula C15H12ClN3O2S3 and a molecular weight of 397.93 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide
PubChem CID121149444
Molecular FormulaC15H12ClN3O2S3
Molecular Weight397.93 g/mol
Exact Mass396.98
IUPAC Name5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClN3O2S3/c16-13-5-6-14(23-13)24(20,21)18-11-4-2-1-3-10(11)12-9-19-7-8-22-15(19)17-12/h1-6,9,18H,7-8H2
InChIKeyWXEIBZLVLPYQAH-UHFFFAOYSA-N
XLogP4.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide (CID 121149444) is 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WXEIBZLVLPYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S3/c16-13-5-6-14(23-13)24(20,21)18-11-4-2-1-3-10(11)12-9-19-7-8-22-15(19)17-12/h1-6,9,18H,7-8H2.
What are the key properties of 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 397.93 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121149444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).