4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one

C10H16N2O2S — CID 106381004

IUPAC4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2(O)CCCC2)cs1
InChIInChI=1S/C10H16N2O2S/c13-9-12-8(6-15-9)5-11-7-10(14)3-1-2-4-10/h6,11,14H,1-5,7H2,(H,12,13)
InChIKeyQNFQCUKTFGJKCC-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.83
Rot. Bonds4

About 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381004) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381004
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2(O)CCCC2)cs1
InChIInChI=1S/C10H16N2O2S/c13-9-12-8(6-15-9)5-11-7-10(14)3-1-2-4-10/h6,11,14H,1-5,7H2,(H,12,13)
InChIKeyQNFQCUKTFGJKCC-UHFFFAOYSA-N
XLogP0.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64196019
N-[(1-hydroxycyclopentyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 64197378
4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380665
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-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381005
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381129
N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 111331164

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381004) is 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2(O)CCCC2)cs1.
What is the InChIKey of 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QNFQCUKTFGJKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-9-12-8(6-15-9)5-11-7-10(14)3-1-2-4-10/h6,11,14H,1-5,7H2,(H,12,13).
What are the key properties of 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).