N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C12H12N4S2 — CID 67221608

IUPACN-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(-c3ccsc3)cnc2s1)C1CC1
InChIInChI=1S/C12H12N4S2/c1-15(9-2-3-9)12-14-16-10(6-13-11(16)18-12)8-4-5-17-7-8/h4-7,9H,2-3H2,1H3
InChIKeyHCVASYKKUSQCJU-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.12
Rot. Bonds3

About N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221608) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221608
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC NameN-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1nn2c(-c3ccsc3)cnc2s1)C1CC1
InChIInChI=1S/C12H12N4S2/c1-15(9-2-3-9)12-14-16-10(6-13-11(16)18-12)8-4-5-17-7-8/h4-7,9H,2-3H2,1H3
InChIKeyHCVASYKKUSQCJU-UHFFFAOYSA-N
XLogP3.12
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221608) is N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(c1nn2c(-c3ccsc3)cnc2s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is HCVASYKKUSQCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-15(9-2-3-9)12-14-16-10(6-13-11(16)18-12)8-4-5-17-7-8/h4-7,9H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 276.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).