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

C16H20N2O2S — CID 110002307

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-16(2,8-9-19)18-15(20)13-6-4-12(5-7-13)14-10-21-11-17-14/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyZMBIJVQNUJFREA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.09
Rot. Bonds6

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

N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 110002307) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide
PubChem CID110002307
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-16(2,8-9-19)18-15(20)13-6-4-12(5-7-13)14-10-21-11-17-14/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyZMBIJVQNUJFREA-UHFFFAOYSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-yl)benzamide
CID 110000771
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
CID 75498992
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide (CID 110002307) is N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide is CCC(C)(CCO)NC(=O)c1ccc(-c2cscn2)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is ZMBIJVQNUJFREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-16(2,8-9-19)18-15(20)13-6-4-12(5-7-13)14-10-21-11-17-14/h4-7,10-11,19H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide?
N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 304.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 110002307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).