N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C10H11N3OS2 — CID 47240049

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C)sc1C
InChIInChI=1S/C10H11N3OS2/c1-5-7(3)16-10(12-5)13-9(14)8-6(2)11-4-15-8/h4H,1-3H3,(H,12,13,14)
InChIKeyJLGOYAMTXFTQMR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.78
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47240049) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47240049
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2scnc2C)sc1C
InChIInChI=1S/C10H11N3OS2/c1-5-7(3)16-10(12-5)13-9(14)8-6(2)11-4-15-8/h4H,1-3H3,(H,12,13,14)
InChIKeyJLGOYAMTXFTQMR-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-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-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 47240049) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2scnc2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JLGOYAMTXFTQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-5-7(3)16-10(12-5)13-9(14)8-6(2)11-4-15-8/h4H,1-3H3,(H,12,13,14).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47240049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).