[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine

C12H21N3S — CID 79533036

IUPAC[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CNCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c13-7-10-1-3-11(4-2-10)8-14-9-12-15-5-6-16-12/h5-6,10-11,14H,1-4,7-9,13H2
InChIKeyBTKVHWLWRZBJFS-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.00
Rot. Bonds5

About [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine

[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine (PubChem CID 79533036) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine
PubChem CID79533036
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine
SMILESNCC1CCC(CNCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c13-7-10-1-3-11(4-2-10)8-14-9-12-15-5-6-16-12/h5-6,10-11,14H,1-4,7-9,13H2
InChIKeyBTKVHWLWRZBJFS-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125249
1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63006342
2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46784228
[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride
CID 158523431
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958
1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934531
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
CID 61283861
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
1-(1,4-dioxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63002116

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine (CID 79533036) is [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine is NCC1CCC(CNCc2nccs2)CC1.
What is the InChIKey of [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine?
The InChIKey is BTKVHWLWRZBJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c13-7-10-1-3-11(4-2-10)8-14-9-12-15-5-6-16-12/h5-6,10-11,14H,1-4,7-9,13H2.
What are the key properties of [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine?
[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 79533036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).