2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

C18H24N2S — CID 105402369

IUPAC2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)NC1(c2nccs2)CCCCC1c1ccccc1
InChIInChI=1S/C18H24N2S/c1-14(2)20-18(17-19-12-13-21-17)11-7-6-10-16(18)15-8-4-3-5-9-15/h3-5,8-9,12-14,16,20H,6-7,10-11H2,1-2H3
InChIKeyUZZWOEWVAFIPFR-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.69
Rot. Bonds4

About 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 105402369) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID105402369
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)NC1(c2nccs2)CCCCC1c1ccccc1
InChIInChI=1S/C18H24N2S/c1-14(2)20-18(17-19-12-13-21-17)11-7-6-10-16(18)15-8-4-3-5-9-15/h3-5,8-9,12-14,16,20H,6-7,10-11H2,1-2H3
InChIKeyUZZWOEWVAFIPFR-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (CID 105402369) is 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is CC(C)NC1(c2nccs2)CCCCC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is UZZWOEWVAFIPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-14(2)20-18(17-19-12-13-21-17)11-7-6-10-16(18)15-8-4-3-5-9-15/h3-5,8-9,12-14,16,20H,6-7,10-11H2,1-2H3.
What are the key properties of 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 105402369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).