N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide

C18H15N3O2S2 — CID 1236382

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-13-5-7-16(8-6-13)25(22,23)20-15-4-2-3-14(11-15)17-12-21-9-10-24-18(21)19-17/h2-12,20H,1H3
InChIKeyXQZQWLGTSKZEBY-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.17
Rot. Bonds4

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide (PubChem CID 1236382) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide
PubChem CID1236382
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1
InChIInChI=1S/C18H15N3O2S2/c1-13-5-7-16(8-6-13)25(22,23)20-15-4-2-3-14(11-15)17-12-21-9-10-24-18(21)19-17/h2-12,20H,1H3
InChIKeyXQZQWLGTSKZEBY-UHFFFAOYSA-N
XLogP4.17
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide (CID 1236382) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is XQZQWLGTSKZEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-13-5-7-16(8-6-13)25(22,23)20-15-4-2-3-14(11-15)17-12-21-9-10-24-18(21)19-17/h2-12,20H,1H3.
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 369.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1236382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).