3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine

C12H21N3S — CID 63046471

IUPAC3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1nc(CNCC2CCCC(N)C2)cs1
InChIInChI=1S/C12H21N3S/c1-9-15-12(8-16-9)7-14-6-10-3-2-4-11(13)5-10/h8,10-11,14H,2-7,13H2,1H3
InChIKeyCOTJBXHJKNZPLM-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.06
Rot. Bonds4

About 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine

3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 63046471) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
PubChem CID63046471
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1nc(CNCC2CCCC(N)C2)cs1
InChIInChI=1S/C12H21N3S/c1-9-15-12(8-16-9)7-14-6-10-3-2-4-11(13)5-10/h8,10-11,14H,2-7,13H2,1H3
InChIKeyCOTJBXHJKNZPLM-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 66006508
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
N-[(3-methylcyclohexyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103883909
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79604712
1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 115595016
5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103243336
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856314
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine (CID 63046471) is 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine is Cc1nc(CNCC2CCCC(N)C2)cs1.
What is the InChIKey of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is COTJBXHJKNZPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-15-12(8-16-9)7-14-6-10-3-2-4-11(13)5-10/h8,10-11,14H,2-7,13H2,1H3.
What are the key properties of 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63046471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).