1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine

C13H20N2S — CID 63906078

IUPAC1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H20N2S/c1-9-3-2-6-13(14,7-9)12-15-11(8-16-12)10-4-5-10/h8-10H,2-7,14H2,1H3
InChIKeyQSQJGIXCESJOSB-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine

1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine (PubChem CID 63906078) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
PubChem CID63906078
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H20N2S/c1-9-3-2-6-13(14,7-9)12-15-11(8-16-12)10-4-5-10/h8-10H,2-7,14H2,1H3
InChIKeyQSQJGIXCESJOSB-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine (CID 63906078) is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2nc(C3CC3)cs2)C1.
What is the InChIKey of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine?
The InChIKey is QSQJGIXCESJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-3-2-6-13(14,7-9)12-15-11(8-16-12)10-4-5-10/h8-10H,2-7,14H2,1H3.
What are the key properties of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine?
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63906078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).