N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C19H26N2O2S — CID 111479812

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1csc(CCc2ccccc2)n1
InChIInChI=1S/C19H26N2O2S/c1-14(22)11-19(2,3)13-20-18(23)16-12-24-17(21-16)10-9-15-7-5-4-6-8-15/h4-8,12,14,22H,9-11,13H2,1-3H3,(H,20,23)
InChIKeyPQUOXBYLDQWTHM-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.46
Rot. Bonds8

About N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 111479812) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID111479812
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1csc(CCc2ccccc2)n1
InChIInChI=1S/C19H26N2O2S/c1-14(22)11-19(2,3)13-20-18(23)16-12-24-17(21-16)10-9-15-7-5-4-6-8-15/h4-8,12,14,22H,9-11,13H2,1-3H3,(H,20,23)
InChIKeyPQUOXBYLDQWTHM-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-methyl-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 99787549
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 111506338
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 110021501
2-[(2,6-dichlorophenyl)methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 59768274
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
N-(4-hydroxy-2,2-dimethylpentyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111479879
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 111479812) is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide is CC(O)CC(C)(C)CNC(=O)c1csc(CCc2ccccc2)n1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PQUOXBYLDQWTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14(22)11-19(2,3)13-20-18(23)16-12-24-17(21-16)10-9-15-7-5-4-6-8-15/h4-8,12,14,22H,9-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111479812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).