4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole

C18H15N5S — CID 54670832

IUPAC4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2cccnc2)nn1
InChIInChI=1S/C18H15N5S/c1-13-18(24-12-20-13)17(14-6-3-2-4-7-14)23-11-16(21-22-23)15-8-5-9-19-10-15/h2-12,17H,1H3
InChIKeyUGSXJFBVWWRBKA-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.74
Rot. Bonds4

About 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole

4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole (PubChem CID 54670832) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole
PubChem CID54670832
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2cccnc2)nn1
InChIInChI=1S/C18H15N5S/c1-13-18(24-12-20-13)17(14-6-3-2-4-7-14)23-11-16(21-22-23)15-8-5-9-19-10-15/h2-12,17H,1H3
InChIKeyUGSXJFBVWWRBKA-UHFFFAOYSA-N
XLogP3.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole (CID 54670832) is 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole is Cc1ncsc1C(c1ccccc1)n1cc(-c2cccnc2)nn1.
What is the InChIKey of 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is UGSXJFBVWWRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-13-18(24-12-20-13)17(14-6-3-2-4-7-14)23-11-16(21-22-23)15-8-5-9-19-10-15/h2-12,17H,1H3.
What are the key properties of 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole?
4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 333.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 54670832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).