N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide

C11H6ClN3O2S2 — CID 16833197

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccno1
InChIInChI=1S/C11H6ClN3O2S2/c12-9-2-1-8(19-9)6-5-18-11(14-6)15-10(16)7-3-4-13-17-7/h1-5H,(H,14,15,16)
InChIKeyGTTNRUSUSAXQQM-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.77
Rot. Bonds3

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 16833197) has the molecular formula C11H6ClN3O2S2 and a molecular weight of 311.78 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID16833197
Molecular FormulaC11H6ClN3O2S2
Molecular Weight311.78 g/mol
Exact Mass310.96
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccno1
InChIInChI=1S/C11H6ClN3O2S2/c12-9-2-1-8(19-9)6-5-18-11(14-6)15-10(16)7-3-4-13-17-7/h1-5H,(H,14,15,16)
InChIKeyGTTNRUSUSAXQQM-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide (CID 16833197) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccno1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is GTTNRUSUSAXQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S2/c12-9-2-1-8(19-9)6-5-18-11(14-6)15-10(16)7-3-4-13-17-7/h1-5H,(H,14,15,16).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 311.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16833197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).