N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C15H18N2O3S — CID 111422693

IUPACN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)c2cscn2)cc1
InChIInChI=1S/C15H18N2O3S/c1-10(2)20-12-5-3-11(4-6-12)14(18)7-16-15(19)13-8-21-9-17-13/h3-6,8-10,14,18H,7H2,1-2H3,(H,16,19)
InChIKeyDKEHEOSBZDAWFY-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.39
Rot. Bonds6

About N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 111422693) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID111422693
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)c2cscn2)cc1
InChIInChI=1S/C15H18N2O3S/c1-10(2)20-12-5-3-11(4-6-12)14(18)7-16-15(19)13-8-21-9-17-13/h3-6,8-10,14,18H,7H2,1-2H3,(H,16,19)
InChIKeyDKEHEOSBZDAWFY-UHFFFAOYSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-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

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 111477679
3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
CID 99802209
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111422767
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111452353
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 111422693) is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(C(O)CNC(=O)c2cscn2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DKEHEOSBZDAWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(2)20-12-5-3-11(4-6-12)14(18)7-16-15(19)13-8-21-9-17-13/h3-6,8-10,14,18H,7H2,1-2H3,(H,16,19).
What are the key properties of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111422693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).