N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide

C14H16N2O2S — CID 110000771

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-14(2,8-17)16-13(18)11-5-3-10(4-6-11)12-7-19-9-15-12/h3-7,9,17H,8H2,1-2H3,(H,16,18)
InChIKeyRFYXRWVOFDMEPR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.31
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 110000771) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide
PubChem CID110000771
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-14(2,8-17)16-13(18)11-5-3-10(4-6-11)12-7-19-9-15-12/h3-7,9,17H,8H2,1-2H3,(H,16,18)
InChIKeyRFYXRWVOFDMEPR-UHFFFAOYSA-N
XLogP2.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone
CID 2968134
4-(4-phenyl-2-thiazolyl)-N-prop-2-enylbenzamide
CID 3530306
N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-2-oxo-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 162648092
N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 4985633
N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 5215878
N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 5226375
N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide
CID 24795089
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
CID 73425575
4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
CID 73504381
4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119100
4-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119123

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide (CID 110000771) is N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide is CC(C)(CO)NC(=O)c1ccc(-c2cscn2)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is RFYXRWVOFDMEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,8-17)16-13(18)11-5-3-10(4-6-11)12-7-19-9-15-12/h3-7,9,17H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 110000771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).