N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine

C13H11N5S — CID 162658008

IUPACN-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccccn2)ns1
InChIInChI=1S/C13H11N5S/c1-9-5-4-8-15-11(9)16-13-17-12(18-19-13)10-6-2-3-7-14-10/h2-8H,1H3,(H,15,16,17,18)
InChIKeyKMJGJVHMGMNZQT-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.05
Rot. Bonds3

About N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine

N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 162658008) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID162658008
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC NameN-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccccn2)ns1
InChIInChI=1S/C13H11N5S/c1-9-5-4-8-15-11(9)16-13-17-12(18-19-13)10-6-2-3-7-14-10/h2-8H,1H3,(H,15,16,17,18)
InChIKeyKMJGJVHMGMNZQT-UHFFFAOYSA-N
XLogP3.05
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 162658008) is N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is Cc1cccnc1Nc1nc(-c2ccccn2)ns1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is KMJGJVHMGMNZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-9-5-4-8-15-11(9)16-13-17-12(18-19-13)10-6-2-3-7-14-10/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 269.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 162658008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).