N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine

C11H18N2S — CID 28780749

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
SMILESCc1nc(CNC2CCCCC2)cs1
InChIInChI=1S/C11H18N2S/c1-9-13-11(8-14-9)7-12-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3
InChIKeyXUFHPNNKDFTGMP-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.87
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine (PubChem CID 28780749) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
PubChem CID28780749
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
SMILESCc1nc(CNC2CCCCC2)cs1
InChIInChI=1S/C11H18N2S/c1-9-13-11(8-14-9)7-12-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3
InChIKeyXUFHPNNKDFTGMP-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 79002701
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025022
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]cyclopropanamine
CID 55119707
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
CID 64654695
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine (CID 28780749) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine is Cc1nc(CNC2CCCCC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine?
The InChIKey is XUFHPNNKDFTGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-13-11(8-14-9)7-12-10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine has a molecular weight of 210.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 28780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).