4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one

C12H20N2O2S — CID 106380665

IUPAC4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)CC2CCCC2)cs1
InChIInChI=1S/C12H20N2O2S/c15-11(5-9-3-1-2-4-9)7-13-6-10-8-17-12(16)14-10/h8-9,11,13,15H,1-7H2,(H,14,16)
InChIKeyYVNOPXGILYJGJI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.47
Rot. Bonds6

About 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380665) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380665
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)CC2CCCC2)cs1
InChIInChI=1S/C12H20N2O2S/c15-11(5-9-3-1-2-4-9)7-13-6-10-8-17-12(16)14-10/h8-9,11,13,15H,1-7H2,(H,14,16)
InChIKeyYVNOPXGILYJGJI-UHFFFAOYSA-N
XLogP1.47
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380707
4-[[(1-hydroxycycloheptyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380817
4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380845
4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381004
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 111426059

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380665) is 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)CC2CCCC2)cs1.
What is the InChIKey of 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YVNOPXGILYJGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c15-11(5-9-3-1-2-4-9)7-13-6-10-8-17-12(16)14-10/h8-9,11,13,15H,1-7H2,(H,14,16).
What are the key properties of 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 256.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).