5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H18N4O2S — CID 67336502

IUPAC5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCCNc1nn2c(-c3ccc(OC)c(OC)c3)cnc2s1
InChIInChI=1S/C15H18N4O2S/c1-4-7-16-14-18-19-11(9-17-15(19)22-14)10-5-6-12(20-2)13(8-10)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)
InChIKeyDNRXQBUTUCTHDF-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.30
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67336502) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67336502
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCCNc1nn2c(-c3ccc(OC)c(OC)c3)cnc2s1
InChIInChI=1S/C15H18N4O2S/c1-4-7-16-14-18-19-11(9-17-15(19)22-14)10-5-6-12(20-2)13(8-10)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)
InChIKeyDNRXQBUTUCTHDF-UHFFFAOYSA-N
XLogP3.30
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67336502) is 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CCCNc1nn2c(-c3ccc(OC)c(OC)c3)cnc2s1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is DNRXQBUTUCTHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-4-7-16-14-18-19-11(9-17-15(19)22-14)10-5-6-12(20-2)13(8-10)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 318.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67336502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).