N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

C14H20N2O3S — CID 109476494

IUPACN-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCC1O)c1csc(C2CCCO2)n1
InChIInChI=1S/C14H20N2O3S/c17-11-4-1-3-9(11)7-15-13(18)10-8-20-14(16-10)12-5-2-6-19-12/h8-9,11-12,17H,1-7H2,(H,15,18)
InChIKeyXVBLGSSNIMWVEL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.89
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 109476494) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID109476494
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCC1O)c1csc(C2CCCO2)n1
InChIInChI=1S/C14H20N2O3S/c17-11-4-1-3-9(11)7-15-13(18)10-8-20-14(16-10)12-5-2-6-19-12/h8-9,11-12,17H,1-7H2,(H,15,18)
InChIKeyXVBLGSSNIMWVEL-UHFFFAOYSA-N
XLogP1.89
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (CID 109476494) is N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is O=C(NCC1CCCC1O)c1csc(C2CCCO2)n1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XVBLGSSNIMWVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-11-4-1-3-9(11)7-15-13(18)10-8-20-14(16-10)12-5-2-6-19-12/h8-9,11-12,17H,1-7H2,(H,15,18).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 109476494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).