4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline

C11H10N4S — CID 576560

IUPAC4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
SMILESCc1nn2cc(-c3ccc(N)cc3)nc2s1
InChIInChI=1S/C11H10N4S/c1-7-14-15-6-10(13-11(15)16-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3
InChIKeyZGDQAQZRJZDYMQ-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.35
Rot. Bonds1

About 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline

4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline (PubChem CID 576560) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline.

Molecular Properties

Compound Name4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
PubChem CID576560
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
SMILESCc1nn2cc(-c3ccc(N)cc3)nc2s1
InChIInChI=1S/C11H10N4S/c1-7-14-15-6-10(13-11(15)16-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3
InChIKeyZGDQAQZRJZDYMQ-UHFFFAOYSA-N
XLogP2.35
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
The IUPAC name of 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline (CID 576560) is 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline.
What is the SMILES notation for 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
The canonical SMILES for 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline is Cc1nn2cc(-c3ccc(N)cc3)nc2s1.
What is the InChIKey of 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
The InChIKey is ZGDQAQZRJZDYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-14-15-6-10(13-11(15)16-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3.
What are the key properties of 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline?
4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline has a molecular weight of 230.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline is sourced from PubChem (CID 576560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).