[4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine

C11H18N2S — CID 155391030

IUPAC[4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine
SMILESCc1ncsc1C1CCC(CN)CC1
InChIInChI=1S/C11H18N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h7,9-10H,2-6,12H2,1H3
InChIKeyKBBZLACPDQMOCY-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.68
Rot. Bonds2

About [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine

[4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine (PubChem CID 155391030) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine
PubChem CID155391030
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine
SMILESCc1ncsc1C1CCC(CN)CC1
InChIInChI=1S/C11H18N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h7,9-10H,2-6,12H2,1H3
InChIKeyKBBZLACPDQMOCY-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine (CID 155391030) is [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine is Cc1ncsc1C1CCC(CN)CC1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine?
The InChIKey is KBBZLACPDQMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h7,9-10H,2-6,12H2,1H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine?
[4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 155391030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).