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

C11H18N2O2S — CID 106380707

IUPAC4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2(O)CCCCC2)cs1
InChIInChI=1S/C11H18N2O2S/c14-10-13-9(7-16-10)6-12-8-11(15)4-2-1-3-5-11/h7,12,15H,1-6,8H2,(H,13,14)
InChIKeyBKSYRDBEJPWZRE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.22
Rot. Bonds4

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

4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380707) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380707
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2(O)CCCCC2)cs1
InChIInChI=1S/C11H18N2O2S/c14-10-13-9(7-16-10)6-12-8-11(15)4-2-1-3-5-11/h7,12,15H,1-6,8H2,(H,13,14)
InChIKeyBKSYRDBEJPWZRE-UHFFFAOYSA-N
XLogP1.22
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64869145
N-[(1-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114101
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65119628
4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379613
4-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380665
4-[[(1-hydroxycycloheptyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380817
4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381004
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381005

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380707) is 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2(O)CCCCC2)cs1.
What is the InChIKey of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BKSYRDBEJPWZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-10-13-9(7-16-10)6-12-8-11(15)4-2-1-3-5-11/h7,12,15H,1-6,8H2,(H,13,14).
What are the key properties of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).