N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C14H12N4O2S — CID 110861523

IUPACN-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc3nccn23)cc1
InChIInChI=1S/C14H12N4O2S/c1-9(19)16-10-2-4-11(5-3-10)17-13(20)12-8-21-14-15-6-7-18(12)14/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyHZSGQTTWRSUBSI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.61
Rot. Bonds3

About N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 110861523) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID110861523
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2csc3nccn23)cc1
InChIInChI=1S/C14H12N4O2S/c1-9(19)16-10-2-4-11(5-3-10)17-13(20)12-8-21-14-15-6-7-18(12)14/h2-8H,1H3,(H,16,19)(H,17,20)
InChIKeyHZSGQTTWRSUBSI-UHFFFAOYSA-N
XLogP2.61
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 110861523) is N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2csc3nccn23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is HZSGQTTWRSUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9(19)16-10-2-4-11(5-3-10)17-13(20)12-8-21-14-15-6-7-18(12)14/h2-8H,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 110861523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).