4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole

C12H11N5S — CID 167918882

IUPAC4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole
SMILESCc1ncsc1-c1cn(Cc2cccnc2)nn1
InChIInChI=1S/C12H11N5S/c1-9-12(18-8-14-9)11-7-17(16-15-11)6-10-3-2-4-13-5-10/h2-5,7-8H,6H2,1H3
InChIKeyWXZGVEPBOSPYMP-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole

4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole (PubChem CID 167918882) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole
PubChem CID167918882
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole
SMILESCc1ncsc1-c1cn(Cc2cccnc2)nn1
InChIInChI=1S/C12H11N5S/c1-9-12(18-8-14-9)11-7-17(16-15-11)6-10-3-2-4-13-5-10/h2-5,7-8H,6H2,1H3
InChIKeyWXZGVEPBOSPYMP-UHFFFAOYSA-N
XLogP2.15
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine
CID 58458853
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]pyridine
CID 81449718
3-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]triazol-1-yl]methyl]pyridine
CID 167743688
4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine
CID 163549701
ethyl 2-[4-(4-methyl-1,3-thiazol-5-yl)triazol-1-yl]acetate
CID 167871828
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
CID 66216761
2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 66830045
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
CID 99795955
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75467949
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 71870730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole (CID 167918882) is 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole is Cc1ncsc1-c1cn(Cc2cccnc2)nn1.
What is the InChIKey of 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole?
The InChIKey is WXZGVEPBOSPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-9-12(18-8-14-9)11-7-17(16-15-11)6-10-3-2-4-13-5-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole?
4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole has a molecular weight of 257.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 167918882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).