6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H11N5S2 — CID 51048558

IUPAC6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc(Cc2nn3c(-c4ccccc4)nnc3s2)cs1
InChIInChI=1S/C14H11N5S2/c1-9-15-11(8-20-9)7-12-18-19-13(16-17-14(19)21-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyOOJUDVAHEMXSBJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.21
Rot. Bonds3

About 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 51048558) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID51048558
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC Name6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc(Cc2nn3c(-c4ccccc4)nnc3s2)cs1
InChIInChI=1S/C14H11N5S2/c1-9-15-11(8-20-9)7-12-18-19-13(16-17-14(19)21-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyOOJUDVAHEMXSBJ-UHFFFAOYSA-N
XLogP3.21
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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

3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 39341739
2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114353197
3,3-dimethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114353324
1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114353230
1,1,1-trifluoro-3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-ol
CID 114356323
5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentanoic acid
CID 114352690
N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopropanamine
CID 114353256
N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]prop-2-en-1-amine
CID 114353248
3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71820965
3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-propan-2-ylpropan-1-amine
CID 114353253
3-phenyl-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353255
6-benzyl-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666496

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 51048558) is 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nc(Cc2nn3c(-c4ccccc4)nnc3s2)cs1.
What is the InChIKey of 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is OOJUDVAHEMXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-9-15-11(8-20-9)7-12-18-19-13(16-17-14(19)21-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 313.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 51048558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).