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

C12H12N4S — CID 168797809

IUPAC5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole
SMILESCC(C)c1cn(-c2ccc3scnc3c2)nn1
InChIInChI=1S/C12H12N4S/c1-8(2)11-6-16(15-14-11)9-3-4-12-10(5-9)13-7-17-12/h3-8H,1-2H3
InChIKeyDTTCWVAHQIEHHY-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.00
Rot. Bonds2

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

5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole (PubChem CID 168797809) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole
PubChem CID168797809
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole
SMILESCC(C)c1cn(-c2ccc3scnc3c2)nn1
InChIInChI=1S/C12H12N4S/c1-8(2)11-6-16(15-14-11)9-3-4-12-10(5-9)13-7-17-12/h3-8H,1-2H3
InChIKeyDTTCWVAHQIEHHY-UHFFFAOYSA-N
XLogP3.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-propan-2-yltriazol-1-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

1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
CID 114419361
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
CID 107806561
azane;5-methyl-1,3-benzothiazole
CID 174920703
ethane;6-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 153396887
4-(1-bromoethyl)-1-(4-propan-2-ylphenyl)triazole
CID 81444887
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
1-(1,3-benzothiazol-5-yl)ethanol
CID 45077207
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
5-(difluoromethyl)-1,3-benzothiazole
CID 84660003
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole (CID 168797809) is 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole is CC(C)c1cn(-c2ccc3scnc3c2)nn1.
What is the InChIKey of 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole?
The InChIKey is DTTCWVAHQIEHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8(2)11-6-16(15-14-11)9-3-4-12-10(5-9)13-7-17-12/h3-8H,1-2H3.
What are the key properties of 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole?
5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole has a molecular weight of 244.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 168797809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).