3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine

C14H14N6S — CID 166196124

IUPAC3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESc1cnc(-n2cccn2)c(CNc2nc(C3CC3)ns2)c1
InChIInChI=1S/C14H14N6S/c1-3-11(13(15-6-1)20-8-2-7-17-20)9-16-14-18-12(19-21-14)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,16,18,19)
InChIKeyZEWHKFWOJCRPSZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.61
Rot. Bonds5

About 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 166196124) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID166196124
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESc1cnc(-n2cccn2)c(CNc2nc(C3CC3)ns2)c1
InChIInChI=1S/C14H14N6S/c1-3-11(13(15-6-1)20-8-2-7-17-20)9-16-14-18-12(19-21-14)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,16,18,19)
InChIKeyZEWHKFWOJCRPSZ-UHFFFAOYSA-N
XLogP2.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (CID 166196124) is 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is c1cnc(-n2cccn2)c(CNc2nc(C3CC3)ns2)c1.
What is the InChIKey of 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZEWHKFWOJCRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c1-3-11(13(15-6-1)20-8-2-7-17-20)9-16-14-18-12(19-21-14)10-4-5-10/h1-3,6-8,10H,4-5,9H2,(H,16,18,19).
What are the key properties of 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 298.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 166196124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).