4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C17H15N5O2S2 — CID 1117219

IUPAC4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H15N5O2S2/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-25-17(21-14)20-12-5-7-13(8-6-12)26(18,23)24/h2-10H,1H3,(H,20,21)(H2,18,23,24)
InChIKeyWJCFHEQBCUIEEF-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.16
Rot. Bonds4

About 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 1117219) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID1117219
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC Name4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H15N5O2S2/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-25-17(21-14)20-12-5-7-13(8-6-12)26(18,23)24/h2-10H,1H3,(H,20,21)(H2,18,23,24)
InChIKeyWJCFHEQBCUIEEF-UHFFFAOYSA-N
XLogP3.16
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 1117219) is 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Cc1nc2ccccn2c1-c1csc(Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is WJCFHEQBCUIEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-11-16(22-9-3-2-4-15(22)19-11)14-10-25-17(21-14)20-12-5-7-13(8-6-12)26(18,23)24/h2-10H,1H3,(H,20,21)(H2,18,23,24).
What are the key properties of 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 1117219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).