N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

C15H12N6O2S — CID 122135497

IUPACN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)Nc3n[nH]c(-c4ccco4)n3)c2)cs1
InChIInChI=1S/C15H12N6O2S/c1-8-17-11(7-24-8)9-5-10(16-6-9)14(22)19-15-18-13(20-21-15)12-3-2-4-23-12/h2-7,16H,1H3,(H2,18,19,20,21,22)
InChIKeyMMOCZGOCBHJZNE-UHFFFAOYSA-N
MW340.37 g/mol
LogP3.08
Rot. Bonds4

About N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 122135497) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID122135497
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC NameN-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)Nc3n[nH]c(-c4ccco4)n3)c2)cs1
InChIInChI=1S/C15H12N6O2S/c1-8-17-11(7-24-8)9-5-10(16-6-9)14(22)19-15-18-13(20-21-15)12-3-2-4-23-12/h2-7,16H,1H3,(H2,18,19,20,21,22)
InChIKeyMMOCZGOCBHJZNE-UHFFFAOYSA-N
XLogP3.08
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-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

Related Compounds

N'-benzoyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbohydrazide
CID 35513092
2-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
CID 78927834
N-(2-methoxy-3-pyridinyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 75403467
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 112797856
N-[(3-hydroxyphenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 71137212
N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 119626504
5-(furan-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole-3-carboxamide
CID 78927797
3-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]butanoic acid
CID 16779909
N-[(2S)-1-aminopropan-2-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 120506653
4-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 35512035
N-(3-aminopropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 119405470
4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 75392520

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (CID 122135497) is N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is Cc1nc(-c2c[nH]c(C(=O)Nc3n[nH]c(-c4ccco4)n3)c2)cs1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is MMOCZGOCBHJZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c1-8-17-11(7-24-8)9-5-10(16-6-9)14(22)19-15-18-13(20-21-15)12-3-2-4-23-12/h2-7,16H,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122135497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).