5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide

C7H11N3OS — CID 83697073

IUPAC5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1ncc(N)s1
InChIInChI=1S/C7H11N3OS/c1-4(2)10-6(11)7-9-3-5(8)12-7/h3-4H,8H2,1-2H3,(H,10,11)
InChIKeyIYHGVVTXKDGBNG-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.86
Rot. Bonds2

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

5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 83697073) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID83697073
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1ncc(N)s1
InChIInChI=1S/C7H11N3OS/c1-4(2)10-6(11)7-9-3-5(8)12-7/h3-4H,8H2,1-2H3,(H,10,11)
InChIKeyIYHGVVTXKDGBNG-UHFFFAOYSA-N
XLogP0.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-propan-2-yl-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

Related Compounds

5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
CID 131134612
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-propan-2-ylacetamide
CID 102767648
5-(6-amino-3-pyridinyl)-N-propan-2-ylthiophene-2-carboxamide
CID 151586572
4-amino-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 117213982
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
5-amino-N-(6-chloro-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 89311605
5-(propan-2-ylcarbamoylamino)-1,3-thiazole-2-carboxamide
CID 154847615
2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 106344040
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 176998061
methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
CID 115017066
N-propan-2-yl-2-sulfanylidene-3H-1,3-thiazole-5-carboxamide
CID 70038292

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide (CID 83697073) is 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)NC(=O)c1ncc(N)s1.
What is the InChIKey of 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is IYHGVVTXKDGBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)10-6(11)7-9-3-5(8)12-7/h3-4H,8H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide?
5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 83697073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).