2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide

C17H20N2O2S — CID 111537981

IUPAC2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1scnc1-c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-14(11-17(21)9-5-2-6-10-17)19-16-15(18-12-22-16)13-7-3-1-4-8-13/h1,3-4,7-8,12,21H,2,5-6,9-11H2,(H,19,20)
InChIKeyXTOPQTOWKBPLON-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.83
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide

2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide (PubChem CID 111537981) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide
PubChem CID111537981
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1scnc1-c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-14(11-17(21)9-5-2-6-10-17)19-16-15(18-12-22-16)13-7-3-1-4-8-13/h1,3-4,7-8,12,21H,2,5-6,9-11H2,(H,19,20)
InChIKeyXTOPQTOWKBPLON-UHFFFAOYSA-N
XLogP3.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 111430681
N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 71862202
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
CID 52501029
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537507
N-benzhydryl-2-(1-hydroxycyclopentyl)acetamide
CID 111430201
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide (CID 111537981) is 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide is O=C(CC1(O)CCCCC1)Nc1scnc1-c1ccccc1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is XTOPQTOWKBPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-14(11-17(21)9-5-2-6-10-17)19-16-15(18-12-22-16)13-7-3-1-4-8-13/h1,3-4,7-8,12,21H,2,5-6,9-11H2,(H,19,20).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide?
2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 111537981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).