5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide

C14H21N3O2S — CID 175137588

IUPAC5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Cc1sc(C(N)=O)nc1C(=O)N1CCCC1C
InChIInChI=1S/C14H21N3O2S/c1-8(2)7-10-11(16-13(20-10)12(15)18)14(19)17-6-4-5-9(17)3/h8-9H,4-7H2,1-3H3,(H2,15,18)
InChIKeyGDHXLJSFEDIQLJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.07
Rot. Bonds4

About 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide

5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide (PubChem CID 175137588) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
PubChem CID175137588
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Cc1sc(C(N)=O)nc1C(=O)N1CCCC1C
InChIInChI=1S/C14H21N3O2S/c1-8(2)7-10-11(16-13(20-10)12(15)18)14(19)17-6-4-5-9(17)3/h8-9H,4-7H2,1-3H3,(H2,15,18)
InChIKeyGDHXLJSFEDIQLJ-UHFFFAOYSA-N
XLogP2.07
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-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 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide (CID 175137588) is 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide is CC(C)Cc1sc(C(N)=O)nc1C(=O)N1CCCC1C.
What is the InChIKey of 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GDHXLJSFEDIQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8(2)7-10-11(16-13(20-10)12(15)18)14(19)17-6-4-5-9(17)3/h8-9H,4-7H2,1-3H3,(H2,15,18).
What are the key properties of 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 175137588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).