3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C18H24N2O2S — CID 95894287

IUPAC3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)n1
InChIInChI=1S/C18H24N2O2S/c1-12-11-23-17(19-12)13(2)20-16(21)15-7-5-6-14(10-15)8-9-18(3,4)22/h5-7,10-11,13,22H,8-9H2,1-4H3,(H,20,21)/t13-/m1/s1
InChIKeyUXUPPFWDYOYLJW-CYBMUJFWSA-N
MW332.47 g/mol
LogP3.65
Rot. Bonds6

About 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 95894287) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID95894287
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)n1
InChIInChI=1S/C18H24N2O2S/c1-12-11-23-17(19-12)13(2)20-16(21)15-7-5-6-14(10-15)8-9-18(3,4)22/h5-7,10-11,13,22H,8-9H2,1-4H3,(H,20,21)/t13-/m1/s1
InChIKeyUXUPPFWDYOYLJW-CYBMUJFWSA-N
XLogP3.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 95894287) is 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)n1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is UXUPPFWDYOYLJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-11-23-17(19-12)13(2)20-16(21)15-7-5-6-14(10-15)8-9-18(3,4)22/h5-7,10-11,13,22H,8-9H2,1-4H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 332.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 95894287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).