[5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine

C11H18N2S — CID 115027129

IUPAC[5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)s2)CCCCC1
InChIInChI=1S/C11H18N2S/c1-11(5-3-2-4-6-11)9-8-13-10(7-12)14-9/h8H,2-7,12H2,1H3
InChIKeyAMGHRDUNLTZQRT-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.82
Rot. Bonds2

About [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine

[5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 115027129) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine
PubChem CID115027129
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine
SMILESCC1(c2cnc(CN)s2)CCCCC1
InChIInChI=1S/C11H18N2S/c1-11(5-3-2-4-6-11)9-8-13-10(7-12)14-9/h8H,2-7,12H2,1H3
InChIKeyAMGHRDUNLTZQRT-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine (CID 115027129) is [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine is CC1(c2cnc(CN)s2)CCCCC1.
What is the InChIKey of [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is AMGHRDUNLTZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-11(5-3-2-4-6-11)9-8-13-10(7-12)14-9/h8H,2-7,12H2,1H3.
What are the key properties of [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine?
[5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylcyclohexyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 115027129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).