4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole

C20H15N7S — CID 29170467

IUPAC4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole
SMILESc1cc(-c2ccc(-n3cnnc3)nc2)cc(-c2ccn(Cc3cscn3)n2)c1
InChIInChI=1S/C20H15N7S/c1-2-15(17-4-5-20(21-9-17)26-12-23-24-13-26)8-16(3-1)19-6-7-27(25-19)10-18-11-28-14-22-18/h1-9,11-14H,10H2
InChIKeyQTTMQCUOZFSGDA-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.70
Rot. Bonds5

About 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole

4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole (PubChem CID 29170467) has the molecular formula C20H15N7S and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole
PubChem CID29170467
Molecular FormulaC20H15N7S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC Name4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole
SMILESc1cc(-c2ccc(-n3cnnc3)nc2)cc(-c2ccn(Cc3cscn3)n2)c1
InChIInChI=1S/C20H15N7S/c1-2-15(17-4-5-20(21-9-17)26-12-23-24-13-26)8-16(3-1)19-6-7-27(25-19)10-18-11-28-14-22-18/h1-9,11-14H,10H2
InChIKeyQTTMQCUOZFSGDA-UHFFFAOYSA-N
XLogP3.70
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole (CID 29170467) is 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole is c1cc(-c2ccc(-n3cnnc3)nc2)cc(-c2ccn(Cc3cscn3)n2)c1.
What is the InChIKey of 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is QTTMQCUOZFSGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7S/c1-2-15(17-4-5-20(21-9-17)26-12-23-24-13-26)8-16(3-1)19-6-7-27(25-19)10-18-11-28-14-22-18/h1-9,11-14H,10H2.
What are the key properties of 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole?
4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 385.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 29170467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).