(2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine

C25H32N2S — CID 141159002

IUPAC(2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine
SMILESC[C@@H](CC1CCCCC1)NCc1ccccc1N1C=CSC1c1ccccc1
InChIInChI=1S/C25H32N2S/c1-20(18-21-10-4-2-5-11-21)26-19-23-14-8-9-15-24(23)27-16-17-28-25(27)22-12-6-3-7-13-22/h3,6-9,12-17,20-21,25-26H,2,4-5,10-11,18-19H2,1H3/t20-,25?/m0/s1
InChIKeyJVMHOSCWKHWJIJ-JINQPTGOSA-N
MW392.61 g/mol
LogP6.86
Rot. Bonds7

About (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine

(2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine (PubChem CID 141159002) has the molecular formula C25H32N2S and a molecular weight of 392.61 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine
PubChem CID141159002
Molecular FormulaC25H32N2S
Molecular Weight392.61 g/mol
Exact Mass392.23
IUPAC Name(2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine
SMILESC[C@@H](CC1CCCCC1)NCc1ccccc1N1C=CSC1c1ccccc1
InChIInChI=1S/C25H32N2S/c1-20(18-21-10-4-2-5-11-21)26-19-23-14-8-9-15-24(23)27-16-17-28-25(27)22-12-6-3-7-13-22/h3,6-9,12-17,20-21,25-26H,2,4-5,10-11,18-19H2,1H3/t20-,25?/m0/s1
InChIKeyJVMHOSCWKHWJIJ-JINQPTGOSA-N
XLogP6.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.61
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

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CID 71379591
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2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
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1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine (CID 141159002) is (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine is C[C@@H](CC1CCCCC1)NCc1ccccc1N1C=CSC1c1ccccc1.
What is the InChIKey of (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine?
The InChIKey is JVMHOSCWKHWJIJ-JINQPTGOSA-N. The full InChI is InChI=1S/C25H32N2S/c1-20(18-21-10-4-2-5-11-21)26-19-23-14-8-9-15-24(23)27-16-17-28-25(27)22-12-6-3-7-13-22/h3,6-9,12-17,20-21,25-26H,2,4-5,10-11,18-19H2,1H3/t20-,25?/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine?
(2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine has a molecular weight of 392.61 g/mol, XLogP of 6.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-N-[[2-(2-phenyl-2H-1,3-thiazol-3-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 141159002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).