N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

C16H20N2O2S — CID 111422585

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2cscn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)12-6-4-11(5-7-12)14(19)8-17-15(20)13-9-21-10-18-13/h4-7,9-10,14,19H,8H2,1-3H3,(H,17,20)
InChIKeyIZRANCQFEFHGHJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (PubChem CID 111422585) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
PubChem CID111422585
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2cscn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-16(2,3)12-6-4-11(5-7-12)14(19)8-17-15(20)13-9-21-10-18-13/h4-7,9-10,14,19H,8H2,1-3H3,(H,17,20)
InChIKeyIZRANCQFEFHGHJ-UHFFFAOYSA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111452353
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 99835171
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (CID 111422585) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is CC(C)(C)c1ccc(C(O)CNC(=O)c2cscn2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IZRANCQFEFHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,3)12-6-4-11(5-7-12)14(19)8-17-15(20)13-9-21-10-18-13/h4-7,9-10,14,19H,8H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111422585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).