N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C16H20N2O3S — CID 126835383

IUPACN-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOC(C)(CO)CNC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O3S/c1-11-18-14(8-22-11)12-4-6-13(7-5-12)15(20)17-9-16(2,10-19)21-3/h4-8,19H,9-10H2,1-3H3,(H,17,20)
InChIKeyKWXUYDKFQCQYSW-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.25
Rot. Bonds6

About N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 126835383) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID126835383
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOC(C)(CO)CNC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O3S/c1-11-18-14(8-22-11)12-4-6-13(7-5-12)15(20)17-9-16(2,10-19)21-3/h4-8,19H,9-10H2,1-3H3,(H,17,20)
InChIKeyKWXUYDKFQCQYSW-UHFFFAOYSA-N
XLogP2.25
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533935
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111483702
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 126835383) is N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is COC(C)(CO)CNC(=O)c1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is KWXUYDKFQCQYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-18-14(8-22-11)12-4-6-13(7-5-12)15(20)17-9-16(2,10-19)21-3/h4-8,19H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 320.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methoxy-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 126835383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).