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

C13H15N3O2S — CID 91075122

IUPAC5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-9(17)7-3-5-8(6-4-7)13-16-10(11(14)18)12(15)19-13/h3-6,9,17H,2,15H2,1H3,(H2,14,18)
InChIKeyATAWHRKROZJOET-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.93
Rot. Bonds4

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

5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 91075122) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID91075122
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCC(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-9(17)7-3-5-8(6-4-7)13-16-10(11(14)18)12(15)19-13/h3-6,9,17H,2,15H2,1H3,(H2,14,18)
InChIKeyATAWHRKROZJOET-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[4-(1-hydroxypropyl)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

Related Compounds

5-Amino-2-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335257
5-Amino-2-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335271
5-[[(1E,3E)-1-amino-4-(2-hydroxypropan-2-yl)-5-methylhexa-1,3,5-trienyl]amino]-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 89407868
5-Amino-2-[2-fluoro-4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91174786
5-Amino-2-[2,6-difluoro-4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91265751
2-[5-Amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 91404954
5-Amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde
CID 143930488
5-Amino-2-[4-(1-hydroxy-1-methylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58335264
5-Amino-2-[4-(1-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 91158583
5-Amino-2-[4-(2-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91450232
5-[4-(Hydroxymethyl)phenyl]-6-methyl-2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 124153262
5-Amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine
CID 143930487

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide (CID 91075122) is 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide is CCC(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1.
What is the InChIKey of 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ATAWHRKROZJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-9(17)7-3-5-8(6-4-7)13-16-10(11(14)18)12(15)19-13/h3-6,9,17H,2,15H2,1H3,(H2,14,18).
What are the key properties of 5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[4-(1-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.93, 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-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91075122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).