N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C12H15N3OS — CID 53134337

IUPACN-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-n2cccc2)nc1C(C)C
InChIInChI=1S/C12H15N3OS/c1-8(2)9-10(11(16)13-3)17-12(14-9)15-6-4-5-7-15/h4-8H,1-3H3,(H,13,16)
InChIKeyGUTZGVYRFQCDAK-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134337) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134337
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-n2cccc2)nc1C(C)C
InChIInChI=1S/C12H15N3OS/c1-8(2)9-10(11(16)13-3)17-12(14-9)15-6-4-5-7-15/h4-8H,1-3H3,(H,13,16)
InChIKeyGUTZGVYRFQCDAK-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-propan-2-yl-2-pyrrol-1-yl-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-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134337) is N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-n2cccc2)nc1C(C)C.
What is the InChIKey of N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GUTZGVYRFQCDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)9-10(11(16)13-3)17-12(14-9)15-6-4-5-7-15/h4-8H,1-3H3,(H,13,16).
What are the key properties of N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).