1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine

C16H15N3S — CID 115732172

IUPAC1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cncs2)c2ccncc2)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-13(5-3-1)16(14-6-8-17-9-7-14)19-11-15-10-18-12-20-15/h1-10,12,16,19H,11H2
InChIKeyODWRAZVCYBIQSV-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.42
Rot. Bonds5

About 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine

1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 115732172) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID115732172
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cncs2)c2ccncc2)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-13(5-3-1)16(14-6-8-17-9-7-14)19-11-15-10-18-12-20-15/h1-10,12,16,19H,11H2
InChIKeyODWRAZVCYBIQSV-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104585372
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 60664173
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
CID 63109462
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 63242524
1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979173
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 115732172) is 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine is c1ccc(C(NCc2cncs2)c2ccncc2)cc1.
What is the InChIKey of 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is ODWRAZVCYBIQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-4-13(5-3-1)16(14-6-8-17-9-7-14)19-11-15-10-18-12-20-15/h1-10,12,16,19H,11H2.
What are the key properties of 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 281.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 115732172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).