N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide

C13H13N3O2S2 — CID 23603671

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cn3ccsc3n2)c1
InChIInChI=1S/C13H13N3O2S2/c1-10-3-2-4-12(7-10)20(17,18)14-8-11-9-16-5-6-19-13(16)15-11/h2-7,9,14H,8H2,1H3
InChIKeyKEWJIFTUPUUHTM-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.18
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide (PubChem CID 23603671) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide
PubChem CID23603671
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cn3ccsc3n2)c1
InChIInChI=1S/C13H13N3O2S2/c1-10-3-2-4-12(7-10)20(17,18)14-8-11-9-16-5-6-19-13(16)15-11/h2-7,9,14H,8H2,1H3
InChIKeyKEWJIFTUPUUHTM-UHFFFAOYSA-N
XLogP2.18
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide (CID 23603671) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2cn3ccsc3n2)c1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide?
The InChIKey is KEWJIFTUPUUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-10-3-2-4-12(7-10)20(17,18)14-8-11-9-16-5-6-19-13(16)15-11/h2-7,9,14H,8H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 23603671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).