5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide

C13H15N3O2S — CID 91158583

IUPAC5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(CO)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H15N3O2S/c1-7(6-17)8-2-4-9(5-3-8)13-16-10(11(14)18)12(15)19-13/h2-5,7,17H,6,15H2,1H3,(H2,14,18)
InChIKeyNNFASVWHZMVMQL-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.59
Rot. Bonds4

About 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide

5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 91158583) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID91158583
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(CO)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H15N3O2S/c1-7(6-17)8-2-4-9(5-3-8)13-16-10(11(14)18)12(15)19-13/h2-5,7,17H,6,15H2,1H3,(H2,14,18)
InChIKeyNNFASVWHZMVMQL-UHFFFAOYSA-N
XLogP1.59
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-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-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 91158583) is 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is CC(CO)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1.
What is the InChIKey of 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NNFASVWHZMVMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7(6-17)8-2-4-9(5-3-8)13-16-10(11(14)18)12(15)19-13/h2-5,7,17H,6,15H2,1H3,(H2,14,18).
What are the key properties of 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91158583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).