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

C11H19N3OS — CID 106381856

IUPAC4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1CCCC(CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H19N3OS/c12-9-3-1-2-8(4-9)5-13-6-10-7-16-11(15)14-10/h7-9,13H,1-6,12H2,(H,14,15)
InChIKeyWQPOGVQRFPWKMD-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.04
Rot. Bonds4

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

4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381856) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381856
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNC1CCCC(CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H19N3OS/c12-9-3-1-2-8(4-9)5-13-6-10-7-16-11(15)14-10/h7-9,13H,1-6,12H2,(H,14,15)
InChIKeyWQPOGVQRFPWKMD-UHFFFAOYSA-N
XLogP1.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-tert-butylcyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379627
4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381785
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 63046471
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
tert-butyl 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 106380530
4-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380119
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381324
4-[[(3,3-dimethylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181548
2-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 113357249
4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379744
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383533
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381551

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381856) is 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one is NC1CCCC(CNCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WQPOGVQRFPWKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c12-9-3-1-2-8(4-9)5-13-6-10-7-16-11(15)14-10/h7-9,13H,1-6,12H2,(H,14,15).
What are the key properties of 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).