4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole

C14H13N3S — CID 2739270

IUPAC4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole
SMILESCc1ccc(C)n1-c1ccc(-c2csnn2)cc1
InChIInChI=1S/C14H13N3S/c1-10-3-4-11(2)17(10)13-7-5-12(6-8-13)14-9-18-16-15-14/h3-9H,1-2H3
InChIKeyDQAGFPLBBSAUOE-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds2

About 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole

4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole (PubChem CID 2739270) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole
PubChem CID2739270
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole
SMILESCc1ccc(C)n1-c1ccc(-c2csnn2)cc1
InChIInChI=1S/C14H13N3S/c1-10-3-4-11(2)17(10)13-7-5-12(6-8-13)14-9-18-16-15-14/h3-9H,1-2H3
InChIKeyDQAGFPLBBSAUOE-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]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

N,N-Dimethyl-4-(1,2,3-thiadiazol-4-yl)aniline
CID 156786955
4-[[3-(3,4-Difluorophenyl)pyrrol-1-yl]methyl]thiadiazole
CID 141352940
1-pyridin-3-yl-N-[4-(thiadiazol-4-yl)phenyl]methanimine
CID 2739299
4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole
CID 5386971
3,4-Diphenylthiadiazol-3-ium-5-thiolate
CID 177620404
N-tert-butyl-4-(thiadiazol-4-yl)aniline
CID 57531832
2-Methyl-6-[1, 2, 3] thiadiazol-4-yl-quinoline
CID 59783911
4-[2-(6-Methyl-2-pyridinyl)ethenyl]thiadiazole
CID 358877
4-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]thiadiazole
CID 2739313
4-[4-(3,4,5-Trimethylpyrazol-1-yl)phenyl]thiadiazole
CID 2739318
5-Methyl-4-(1,3,5-trimethylpyrrol-2-yl)thiadiazole
CID 20775683
4-[(E)-2-(6-methylquinolin-2-yl)ethenyl]thiadiazole
CID 47046198

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole?
The IUPAC name of 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole (CID 2739270) is 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole.
What is the SMILES notation for 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole?
The canonical SMILES for 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole is Cc1ccc(C)n1-c1ccc(-c2csnn2)cc1.
What is the InChIKey of 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole?
The InChIKey is DQAGFPLBBSAUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-3-4-11(2)17(10)13-7-5-12(6-8-13)14-9-18-16-15-14/h3-9H,1-2H3.
What are the key properties of 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole?
4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole has a molecular weight of 255.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiadiazole is sourced from PubChem (CID 2739270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).