4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole

C14H14N4S — CID 54670921

IUPAC4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H14N4S/c1-11-14(19-10-15-11)7-8-18-9-13(16-17-18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyBSHYZQUDJXYIEU-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.95
Rot. Bonds4

About 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole

4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 54670921) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole
PubChem CID54670921
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C14H14N4S/c1-11-14(19-10-15-11)7-8-18-9-13(16-17-18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyBSHYZQUDJXYIEU-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole (CID 54670921) is 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole is Cc1ncsc1CCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is BSHYZQUDJXYIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-11-14(19-10-15-11)7-8-18-9-13(16-17-18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole?
4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 270.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 54670921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).