N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H10FN7S — CID 167907766

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(Nc3cnn(-c4ncccc4F)c3)sc2n1
InChIInChI=1S/C13H10FN7S/c1-8-6-21-13(17-8)22-12(19-21)18-9-5-16-20(7-9)11-10(14)3-2-4-15-11/h2-7H,1H3,(H,18,19)
InChIKeyZIQSELVYCVBGDZ-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 167907766) has the molecular formula C13H10FN7S and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID167907766
Molecular FormulaC13H10FN7S
Molecular Weight315.34 g/mol
Exact Mass315.07
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(Nc3cnn(-c4ncccc4F)c3)sc2n1
InChIInChI=1S/C13H10FN7S/c1-8-6-21-13(17-8)22-12(19-21)18-9-5-16-20(7-9)11-10(14)3-2-4-15-11/h2-7H,1H3,(H,18,19)
InChIKeyZIQSELVYCVBGDZ-UHFFFAOYSA-N
XLogP2.56
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 167907766) is N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(Nc3cnn(-c4ncccc4F)c3)sc2n1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is ZIQSELVYCVBGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN7S/c1-8-6-21-13(17-8)22-12(19-21)18-9-5-16-20(7-9)11-10(14)3-2-4-15-11/h2-7H,1H3,(H,18,19).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 315.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 167907766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).