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

C11H18N2OS — CID 106379645

IUPAC4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C11H18N2OS/c1-8-2-4-9(5-3-8)12-6-10-7-15-11(14)13-10/h7-9,12H,2-6H2,1H3,(H,13,14)
InChIKeyKKUGNWLYXNQSKV-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds3

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

4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379645) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379645
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1CCC(NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C11H18N2OS/c1-8-2-4-9(5-3-8)12-6-10-7-15-11(14)13-10/h7-9,12H,2-6H2,1H3,(H,13,14)
InChIKeyKKUGNWLYXNQSKV-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 8894178
3-[2-[[(1S)-2,2-dimethylcyclohexyl]amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 97818882
4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379917
4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181255
4-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181363
3-[2-[(2,2-Dimethylcyclohexyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 86799898
3-[2-[[(1R)-2,2-dimethylcyclohexyl]amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 97818880
4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379608
4-[(spiro[4.5]decan-8-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379611
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379622
4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379627
4-[[(2-cyclohexylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379657

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379645) is 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is CC1CCC(NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KKUGNWLYXNQSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-2-4-9(5-3-8)12-6-10-7-15-11(14)13-10/h7-9,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).