2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide

C17H26N2O3S — CID 75423621

IUPAC2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1csc(CN(CC2CCCO2)C(=O)CC2(O)CCCC2)n1
InChIInChI=1S/C17H26N2O3S/c1-13-12-23-15(18-13)11-19(10-14-5-4-8-22-14)16(20)9-17(21)6-2-3-7-17/h12,14,21H,2-11H2,1H3
InChIKeyCGVOCKPDCGBUSF-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.65
Rot. Bonds6

About 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 75423621) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID75423621
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1csc(CN(CC2CCCO2)C(=O)CC2(O)CCCC2)n1
InChIInChI=1S/C17H26N2O3S/c1-13-12-23-15(18-13)11-19(10-14-5-4-8-22-14)16(20)9-17(21)6-2-3-7-17/h12,14,21H,2-11H2,1H3
InChIKeyCGVOCKPDCGBUSF-UHFFFAOYSA-N
XLogP2.65
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 75423621) is 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide is Cc1csc(CN(CC2CCCO2)C(=O)CC2(O)CCCC2)n1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CGVOCKPDCGBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-12-23-15(18-13)11-19(10-14-5-4-8-22-14)16(20)9-17(21)6-2-3-7-17/h12,14,21H,2-11H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 75423621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).