2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole

C16H14N6OS — CID 72884116

IUPAC2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole
SMILESCOc1cccc(-n2cc(Cn3cc(-c4nccs4)nn3)cn2)c1
InChIInChI=1S/C16H14N6OS/c1-23-14-4-2-3-13(7-14)22-10-12(8-18-22)9-21-11-15(19-20-21)16-17-5-6-24-16/h2-8,10-11H,9H2,1H3
InChIKeyBPNOWGPKMZGDDI-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.64
Rot. Bonds5

About 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole

2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole (PubChem CID 72884116) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole
PubChem CID72884116
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole
SMILESCOc1cccc(-n2cc(Cn3cc(-c4nccs4)nn3)cn2)c1
InChIInChI=1S/C16H14N6OS/c1-23-14-4-2-3-13(7-14)22-10-12(8-18-22)9-21-11-15(19-20-21)16-17-5-6-24-16/h2-8,10-11H,9H2,1H3
InChIKeyBPNOWGPKMZGDDI-UHFFFAOYSA-N
XLogP2.64
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560
4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 166620627
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine
CID 157016460
4-[(3-methoxyphenyl)methylsulfinylmethyl]-1-phenylpyrazole
CID 75426285
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine
CID 63998552
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol
CID 72861471
1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56897462
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176501771

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole (CID 72884116) is 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole is COc1cccc(-n2cc(Cn3cc(-c4nccs4)nn3)cn2)c1.
What is the InChIKey of 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole?
The InChIKey is BPNOWGPKMZGDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-23-14-4-2-3-13(7-14)22-10-12(8-18-22)9-21-11-15(19-20-21)16-17-5-6-24-16/h2-8,10-11H,9H2,1H3.
What are the key properties of 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole?
2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole has a molecular weight of 338.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 72884116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).