[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine

C17H15ClN2S — CID 81177501

IUPAC[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(Cc2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H15ClN2S/c18-14-8-6-12(7-9-14)10-16-20-17(15(11-19)21-16)13-4-2-1-3-5-13/h1-9H,10-11,19H2
InChIKeyCABWKKNOZSCCPX-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.51
Rot. Bonds4

About [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 81177501) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID81177501
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(Cc2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H15ClN2S/c18-14-8-6-12(7-9-14)10-16-20-17(15(11-19)21-16)13-4-2-1-3-5-13/h1-9H,10-11,19H2
InChIKeyCABWKKNOZSCCPX-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 81177501) is [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine is NCc1sc(Cc2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is CABWKKNOZSCCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c18-14-8-6-12(7-9-14)10-16-20-17(15(11-19)21-16)13-4-2-1-3-5-13/h1-9H,10-11,19H2.
What are the key properties of [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 314.84 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 81177501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).