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

C15H26N2OS — CID 106379627

IUPAC4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)C1CCC(CNCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)12-6-4-11(5-7-12)8-16-9-13-10-19-14(18)17-13/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyLNBXFEHOVOFWJF-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.38
Rot. Bonds4

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

4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379627) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379627
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(C)C1CCC(CNCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)12-6-4-11(5-7-12)8-16-9-13-10-19-14(18)17-13/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyLNBXFEHOVOFWJF-UHFFFAOYSA-N
XLogP3.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 106380530
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181548
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104574977
4-[[(4-ethylcycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181296
4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381785
N-cyclopropyl-N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106380848
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837
2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-3-ylpropanamide
CID 106381229
4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381142
N-cyclopentyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106380797

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379627) is 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC(C)(C)C1CCC(CNCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LNBXFEHOVOFWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)12-6-4-11(5-7-12)8-16-9-13-10-19-14(18)17-13/h10-12,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 282.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).