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

C14H24N2OS — CID 106380119

IUPAC4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CC1CCCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H24N2OS/c1-10(2)6-11-4-3-5-12(7-11)15-8-13-9-18-14(17)16-13/h9-12,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyJZZHYRJBXVQPQM-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.13
Rot. Bonds5

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

4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380119) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380119
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CC1CCCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H24N2OS/c1-10(2)6-11-4-3-5-12(7-11)15-8-13-9-18-14(17)16-13/h9-12,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyJZZHYRJBXVQPQM-UHFFFAOYSA-N
XLogP3.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-ethylcycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181296
4-[[(2-propan-2-yloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380329
N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428555
N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428515
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107427921
N-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428036
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380338
4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379744

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380119) is 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is CC(C)CC1CCCC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JZZHYRJBXVQPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)6-11-4-3-5-12(7-11)15-8-13-9-18-14(17)16-13/h9-12,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 268.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).