[5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine

C13H22N2S — CID 70998318

IUPAC[5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine
SMILESCC1C[C@H](C)CC[C@@]1(C)c1cnc(CN)s1
InChIInChI=1S/C13H22N2S/c1-9-4-5-13(3,10(2)6-9)11-8-15-12(7-14)16-11/h8-10H,4-7,14H2,1-3H3/t9-,10?,13-/m1/s1
InChIKeyJTJLRLSEWLIVBU-NDAPUWOLSA-N
MW238.40 g/mol
LogP3.32
Rot. Bonds2

About [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine

[5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 70998318) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine
PubChem CID70998318
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine
SMILESCC1C[C@H](C)CC[C@@]1(C)c1cnc(CN)s1
InChIInChI=1S/C13H22N2S/c1-9-4-5-13(3,10(2)6-9)11-8-15-12(7-14)16-11/h8-10H,4-7,14H2,1-3H3/t9-,10?,13-/m1/s1
InChIKeyJTJLRLSEWLIVBU-NDAPUWOLSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine (CID 70998318) is [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine is CC1C[C@H](C)CC[C@@]1(C)c1cnc(CN)s1.
What is the InChIKey of [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is JTJLRLSEWLIVBU-NDAPUWOLSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-4-5-13(3,10(2)6-9)11-8-15-12(7-14)16-11/h8-10H,4-7,14H2,1-3H3/t9-,10?,13-/m1/s1.
What are the key properties of [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine?
[5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R,4R)-1,2,4-trimethylcyclohexyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 70998318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).