N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H13N5S — CID 52941952

IUPACN-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cc(-c2cnc3sc(NCC4CC4)nn23)ccn1
InChIInChI=1S/C13H13N5S/c1-2-9(1)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,1-2,7H2,(H,15,17)
InChIKeyLIGZLOYUNBSQQE-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.67
Rot. Bonds4

About N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 52941952) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID52941952
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC NameN-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cc(-c2cnc3sc(NCC4CC4)nn23)ccn1
InChIInChI=1S/C13H13N5S/c1-2-9(1)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,1-2,7H2,(H,15,17)
InChIKeyLIGZLOYUNBSQQE-UHFFFAOYSA-N
XLogP2.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 52941952) is N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1cc(-c2cnc3sc(NCC4CC4)nn23)ccn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LIGZLOYUNBSQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-9(1)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,1-2,7H2,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 52941952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).