5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C11H13N3OS2 — CID 53257544

IUPAC5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(N)=O
InChIInChI=1S/C11H13N3OS2/c1-6(2)5-7-8(9(12)15)14-11(17-7)10-13-3-4-16-10/h3-4,6H,5H2,1-2H3,(H2,12,15)
InChIKeyPZLRBDCDALQBDZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.56
Rot. Bonds4

About 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53257544) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53257544
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(N)=O
InChIInChI=1S/C11H13N3OS2/c1-6(2)5-7-8(9(12)15)14-11(17-7)10-13-3-4-16-10/h3-4,6H,5H2,1-2H3,(H2,12,15)
InChIKeyPZLRBDCDALQBDZ-UHFFFAOYSA-N
XLogP2.56
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-10-sulfanyldecane-1,9-dione
CID 157156570
8,8,8-trifluoro-1-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]octane-1,7-dione
CID 157465769
N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 23643979
2-carbamothioyl-5-(2-methylpropyl)-N-[[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 89198108
N-(2-aminophenyl)-7-[5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-7-oxoheptanamide
CID 159195963
methyl 5-butyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylate
CID 59345196
2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
CID 170521186
5-acetyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696108
ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 59345263
ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 59345168
5-(2-methylpropyl)-4-propanoyl-1,3-thiazole-2-carbothioamide
CID 89198094
5-(1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 70043365

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 53257544) is 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)Cc1sc(-c2nccs2)nc1C(N)=O.
What is the InChIKey of 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PZLRBDCDALQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-6(2)5-7-8(9(12)15)14-11(17-7)10-13-3-4-16-10/h3-4,6H,5H2,1-2H3,(H2,12,15).
What are the key properties of 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53257544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).