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

C12H20N2S — CID 63019456

IUPAC[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCc1ncc(CC2(CN)CCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-10-14-8-11(15-10)7-12(9-13)5-3-2-4-6-12/h8H,2-7,9,13H2,1H3
InChIKeyNQQCVJCVLYTOPV-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.90
Rot. Bonds3

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

[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (PubChem CID 63019456) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
PubChem CID63019456
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCc1ncc(CC2(CN)CCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-10-14-8-11(15-10)7-12(9-13)5-3-2-4-6-12/h8H,2-7,9,13H2,1H3
InChIKeyNQQCVJCVLYTOPV-UHFFFAOYSA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (CID 63019456) is [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is Cc1ncc(CC2(CN)CCCCC2)s1.
What is the InChIKey of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The InChIKey is NQQCVJCVLYTOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-14-8-11(15-10)7-12(9-13)5-3-2-4-6-12/h8H,2-7,9,13H2,1H3.
What are the key properties of [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63019456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).