2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide

C17H26N2O2S — CID 111520473

IUPAC2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
SMILESCc1csc(C2(NC(=O)CC3(O)CCCCC3)CCCC2)n1
InChIInChI=1S/C17H26N2O2S/c1-13-12-22-15(18-13)17(9-5-6-10-17)19-14(20)11-16(21)7-3-2-4-8-16/h12,21H,2-11H2,1H3,(H,19,20)
InChIKeyNDPYVGXRBWJMCU-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.42
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide

2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide (PubChem CID 111520473) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
PubChem CID111520473
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
SMILESCc1csc(C2(NC(=O)CC3(O)CCCCC3)CCCC2)n1
InChIInChI=1S/C17H26N2O2S/c1-13-12-22-15(18-13)17(9-5-6-10-17)19-14(20)11-16(21)7-3-2-4-8-16/h12,21H,2-11H2,1H3,(H,19,20)
InChIKeyNDPYVGXRBWJMCU-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide (CID 111520473) is 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide is Cc1csc(C2(NC(=O)CC3(O)CCCCC3)CCCC2)n1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide?
The InChIKey is NDPYVGXRBWJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-12-22-15(18-13)17(9-5-6-10-17)19-14(20)11-16(21)7-3-2-4-8-16/h12,21H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide has a molecular weight of 322.47 g/mol, XLogP of 3.42, 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-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide is sourced from PubChem (CID 111520473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).