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

C18H24N2O2S — CID 155560325

IUPAC2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(C(O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O2S/c1-5-10-19-16(22)14-11-23-17(20-14)15(21)12-6-8-13(9-7-12)18(2,3)4/h6-9,11,15,21H,5,10H2,1-4H3,(H,19,22)
InChIKeyIJGSJMUPMVEKSY-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.66
Rot. Bonds5

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

2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 155560325) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID155560325
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(C(O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O2S/c1-5-10-19-16(22)14-11-23-17(20-14)15(21)12-6-8-13(9-7-12)18(2,3)4/h6-9,11,15,21H,5,10H2,1-4H3,(H,19,22)
InChIKeyIJGSJMUPMVEKSY-UHFFFAOYSA-N
XLogP3.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155510442
2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155557378
N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155557997
2-[(3-chlorophenyl)-hydroxymethyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 155559156
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 155562294
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155565757
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 155569132
1-(2-Hydroxy-2-phenylethyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45826210
1-[2-Hydroxy-2-(4-methylphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 45830909
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 45830913
1-(2-Hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47239173
1-[2-Hydroxy-2-(4-methylphenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 53504024

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 155560325) is 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(C(O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is IJGSJMUPMVEKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-5-10-19-16(22)14-11-23-17(20-14)15(21)12-6-8-13(9-7-12)18(2,3)4/h6-9,11,15,21H,5,10H2,1-4H3,(H,19,22).
What are the key properties of 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155560325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).