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

C13H15N3O2S — CID 58335264

IUPAC5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H15N3O2S/c1-13(2,18)8-5-3-7(4-6-8)12-16-9(10(14)17)11(15)19-12/h3-6,18H,15H2,1-2H3,(H2,14,17)
InChIKeyYMONKCMLIJHQGE-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.72
Rot. Bonds3

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

5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 58335264) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID58335264
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C13H15N3O2S/c1-13(2,18)8-5-3-7(4-6-8)12-16-9(10(14)17)11(15)19-12/h3-6,18H,15H2,1-2H3,(H2,14,17)
InChIKeyYMONKCMLIJHQGE-UHFFFAOYSA-N
XLogP1.72
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
2-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 66964821
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
(Z)-N-[(Z)-but-2-en-2-yl]-N'-[2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pent-4-enoyl-1,3-thiazol-5-yl]-5-hydroxy-4,5-dimethylhex-2-enimidamide
CID 91063086
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-hydroxypropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 91075122
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 58335264) is 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)(O)c1ccc(-c2nc(C(N)=O)c(N)s2)cc1.
What is the InChIKey of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YMONKCMLIJHQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(2,18)8-5-3-7(4-6-8)12-16-9(10(14)17)11(15)19-12/h3-6,18H,15H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58335264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).