N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide

C7H10N2OS2 — CID 70038292

IUPACN-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c(=S)s1
InChIInChI=1S/C7H10N2OS2/c1-4(2)9-6(10)5-3-8-7(11)12-5/h3-4H,1-2H3,(H,8,11)(H,9,10)
InChIKeyURDCAZRDHZSGAQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.94
Rot. Bonds2

About N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide

N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide (PubChem CID 70038292) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
PubChem CID70038292
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC NameN-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c(=S)s1
InChIInChI=1S/C7H10N2OS2/c1-4(2)9-6(10)5-3-8-7(11)12-5/h3-4H,1-2H3,(H,8,11)(H,9,10)
InChIKeyURDCAZRDHZSGAQ-UHFFFAOYSA-N
XLogP1.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-propan-2-yl-2-sulfanylidene-3H-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

Related Compounds

5-(6-oxo-1H-pyridin-3-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 71690295
5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 83697073
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(propan-2-ylcarbamoyl)-1,2-thiazole-3-carboxylic acid
CID 117218326
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 117213982
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
2-amino-N,5-di(propan-2-yl)thiophene-3-carboxamide
CID 43174802
5-(6-amino-3-pyridinyl)-N-propan-2-ylthiophene-2-carboxamide
CID 151586572
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
3-fluoro-5-hydroxy-4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
CID 118460094

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide (CID 70038292) is N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide is CC(C)NC(=O)c1c[nH]c(=S)s1.
What is the InChIKey of N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
The InChIKey is URDCAZRDHZSGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-4(2)9-6(10)5-3-8-7(11)12-5/h3-4H,1-2H3,(H,8,11)(H,9,10).
What are the key properties of N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide?
N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide has a molecular weight of 202.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70038292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).