4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine

C17H14N6S — CID 99833986

IUPAC4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESc1ccc(-n2cnnc2NCc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H14N6S/c1-2-6-14(7-3-1)23-12-20-22-17(23)19-10-13-11-24-16(21-13)15-8-4-5-9-18-15/h1-9,11-12H,10H2,(H,19,22)
InChIKeyQQSXMGXKSDSYEX-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.40
Rot. Bonds5

About 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine

4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 99833986) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID99833986
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESc1ccc(-n2cnnc2NCc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H14N6S/c1-2-6-14(7-3-1)23-12-20-22-17(23)19-10-13-11-24-16(21-13)15-8-4-5-9-18-15/h1-9,11-12H,10H2,(H,19,22)
InChIKeyQQSXMGXKSDSYEX-UHFFFAOYSA-N
XLogP3.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine with MolForge

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Related Compounds

6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505627
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 99833986) is 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine is c1ccc(-n2cnnc2NCc2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is QQSXMGXKSDSYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-2-6-14(7-3-1)23-12-20-22-17(23)19-10-13-11-24-16(21-13)15-8-4-5-9-18-15/h1-9,11-12H,10H2,(H,19,22).
What are the key properties of 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 334.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 99833986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).