2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole

C16H13N5S — CID 45484850

IUPAC2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3nnn(-c4cccnc4)c3C)ccc2s1
InChIInChI=1S/C16H13N5S/c1-10-16(19-20-21(10)13-4-3-7-17-9-13)12-5-6-15-14(8-12)18-11(2)22-15/h3-9H,1-2H3
InChIKeyTUMXYGIWQHAHFZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole

2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole (PubChem CID 45484850) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole
PubChem CID45484850
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3nnn(-c4cccnc4)c3C)ccc2s1
InChIInChI=1S/C16H13N5S/c1-10-16(19-20-21(10)13-4-3-7-17-9-13)12-5-6-15-14(8-12)18-11(2)22-15/h3-9H,1-2H3
InChIKeyTUMXYGIWQHAHFZ-UHFFFAOYSA-N
XLogP3.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole 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-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
2-Pyridin-4-yl-1,3-benzothiazole
CID 236319
2-methyl-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzo[d]thiazole-6-sulfonamide
CID 12006170
3-heptyl-2-[(E)-2-(4-pyrrol-1-ylphenyl)ethenyl]-1,3-benzothiazol-3-ium
CID 57396220
Thiazolo(4,5-c)quinoline, 2-methyl-, monohydrochloride
CID 3066128
1,3-Benzothiazol-2-yl-[phenyl(pyridin-2-yl)methyl]diazene
CID 91896126
2-[4-(Pyridin-1-ium-1-ylmethyl)phenyl]-1,3-benzothiazole
CID 2774331
2-[1-(1,3-Benzothiazol-2-yl)-2-pyridin-3-ylethenyl]-1,3-benzothiazole
CID 4081224
2-[1-(1,3-Benzothiazol-2-yl)-2-pyridin-4-ylethenyl]-1,3-benzothiazole
CID 4094223
6-(3,5-Difluorophenyl)thieno[2,3-b]pyrazine
CID 118712790
4-Methyl-5-[phenyl-(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-thiazole
CID 54670832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole (CID 45484850) is 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole is Cc1nc2cc(-c3nnn(-c4cccnc4)c3C)ccc2s1.
What is the InChIKey of 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole?
The InChIKey is TUMXYGIWQHAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-10-16(19-20-21(10)13-4-3-7-17-9-13)12-5-6-15-14(8-12)18-11(2)22-15/h3-9H,1-2H3.
What are the key properties of 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole?
2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole has a molecular weight of 307.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1-pyridin-3-yltriazol-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 45484850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).