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

C35H37N13S3 — CID 159118115

IUPAC4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1cc(-c2ccccc2)nn1.Cc1ncsc1CCn1cc(-c2cccnc2)nn1.Cc1ncsc1CCn1ccnn1
InChIInChI=1S/C14H14N4S.C13H13N5S.C8H10N4S/c1-11-14(19-10-15-11)7-8-18-9-13(16-17-18)12-5-3-2-4-6-12;1-10-13(19-9-15-10)4-6-18-8-12(16-17-18)11-3-2-5-14-7-11;1-7-8(13-6-9-7)2-4-12-5-3-10-11-12/h2-6,9-10H,7-8H2,1H3;2-3,5,7-9H,4,6H2,1H3;3,5-6H,2,4H2,1H3
InChIKeyKFIMURVDLXPYAA-UHFFFAOYSA-N
MW735.97 g/mol
LogP6.59
Rot. Bonds11

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

4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 159118115) has the molecular formula C35H37N13S3 and a molecular weight of 735.97 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole
PubChem CID159118115
Molecular FormulaC35H37N13S3
Molecular Weight735.97 g/mol
Exact Mass735.25
IUPAC Name4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1cc(-c2ccccc2)nn1.Cc1ncsc1CCn1cc(-c2cccnc2)nn1.Cc1ncsc1CCn1ccnn1
InChIInChI=1S/C14H14N4S.C13H13N5S.C8H10N4S/c1-11-14(19-10-15-11)7-8-18-9-13(16-17-18)12-5-3-2-4-6-12;1-10-13(19-9-15-10)4-6-18-8-12(16-17-18)11-3-2-5-14-7-11;1-7-8(13-6-9-7)2-4-12-5-3-10-11-12/h2-6,9-10H,7-8H2,1H3;2-3,5,7-9H,4,6H2,1H3;3,5-6H,2,4H2,1H3
InChIKeyKFIMURVDLXPYAA-UHFFFAOYSA-N
XLogP6.59
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500735.97
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole
CID 155523034
4-Methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole
CID 54670829
5-[(4-Benzyltriazol-1-yl)-phenylmethyl]-4-methyl-1,3-thiazole
CID 54670830
4-Methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole
CID 54670832
5-[(4-Fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole
CID 54670833
4-Methyl-5-[phenyl-(4-pyridin-2-yltriazol-1-yl)methyl]-1,3-thiazole
CID 54670834
4-Methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole
CID 54670921
4-Methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole
CID 54671013
4-Methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole
CID 54671015
4-Methyl-5-[phenyl-(4-pyridin-4-yltriazol-1-yl)methyl]-1,3-thiazole
CID 60201931
4-Methyl-5-[phenyl-(4-propyltriazol-1-yl)methyl]-1,3-thiazole
CID 71455326
5-[4-(1-Benzyltriazol-4-yl)-1-phenylpyrazol-3-yl]-4-methyl-2-phenyl-1,3-thiazole
CID 155535571

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole (CID 159118115) is 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole is Cc1ncsc1CCn1cc(-c2ccccc2)nn1.Cc1ncsc1CCn1cc(-c2cccnc2)nn1.Cc1ncsc1CCn1ccnn1.
What is the InChIKey of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is KFIMURVDLXPYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S.C13H13N5S.C8H10N4S/c1-11-14(19-10-15-11)7-8-18-9-13(16-17-18)12-5-3-2-4-6-12;1-10-13(19-9-15-10)4-6-18-8-12(16-17-18)11-3-2-5-14-7-11;1-7-8(13-6-9-7)2-4-12-5-3-10-11-12/h2-6,9-10H,7-8H2,1H3;2-3,5,7-9H,4,6H2,1H3;3,5-6H,2,4H2,1H3.
What are the key properties of 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole?
4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 735.97 g/mol, XLogP of 6.59, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-phenyltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(4-pyridin-3-yltriazol-1-yl)ethyl]-1,3-thiazole;4-methyl-5-[2-(triazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 159118115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).