4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine

C17H15N5S — CID 167862565

IUPAC4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1cn2nc(Nc3ccc(Nc4ccccc4)cc3)sc2n1
InChIInChI=1S/C17H15N5S/c1-12-11-22-17(18-12)23-16(21-22)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,20,21)
InChIKeyXURKMTLPBSKRMP-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.59
Rot. Bonds4

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

4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 167862565) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine
PubChem CID167862565
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1cn2nc(Nc3ccc(Nc4ccccc4)cc3)sc2n1
InChIInChI=1S/C17H15N5S/c1-12-11-22-17(18-12)23-16(21-22)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,20,21)
InChIKeyXURKMTLPBSKRMP-UHFFFAOYSA-N
XLogP4.59
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine (CID 167862565) is 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine is Cc1cn2nc(Nc3ccc(Nc4ccccc4)cc3)sc2n1.
What is the InChIKey of 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is XURKMTLPBSKRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-12-11-22-17(18-12)23-16(21-22)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,20,21).
What are the key properties of 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine?
4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 321.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 167862565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).