3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline

C12H11IN4S — CID 66717116

IUPAC3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nn3cc(I)nc3s2)c1
InChIInChI=1S/C12H11IN4S/c1-16(2)9-5-3-4-8(6-9)11-15-17-7-10(13)14-12(17)18-11/h3-7H,1-2H3
InChIKeyWRBPHGDWOPCQKR-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.13
Rot. Bonds2

About 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline

3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline (PubChem CID 66717116) has the molecular formula C12H11IN4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline
PubChem CID66717116
Molecular FormulaC12H11IN4S
Molecular Weight370.22 g/mol
Exact Mass369.97
IUPAC Name3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nn3cc(I)nc3s2)c1
InChIInChI=1S/C12H11IN4S/c1-16(2)9-5-3-4-8(6-9)11-15-17-7-10(13)14-12(17)18-11/h3-7H,1-2H3
InChIKeyWRBPHGDWOPCQKR-UHFFFAOYSA-N
XLogP3.13
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline (CID 66717116) is 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline is CN(C)c1cccc(-c2nn3cc(I)nc3s2)c1.
What is the InChIKey of 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline?
The InChIKey is WRBPHGDWOPCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN4S/c1-16(2)9-5-3-4-8(6-9)11-15-17-7-10(13)14-12(17)18-11/h3-7H,1-2H3.
What are the key properties of 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline?
3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline has a molecular weight of 370.22 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 66717116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).