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

C17H18N6S — CID 155230383

IUPAC3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1-c1nsc(Nc2ccc(N3CCCC3)cn2)n1
InChIInChI=1S/C17H18N6S/c1-12-5-4-8-18-15(12)16-21-17(24-22-16)20-14-7-6-13(11-19-14)23-9-2-3-10-23/h4-8,11H,2-3,9-10H2,1H3,(H,19,20,21,22)
InChIKeyQBDOCANJKQCMKJ-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.65
Rot. Bonds4

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

3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230383) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230383
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1-c1nsc(Nc2ccc(N3CCCC3)cn2)n1
InChIInChI=1S/C17H18N6S/c1-12-5-4-8-18-15(12)16-21-17(24-22-16)20-14-7-6-13(11-19-14)23-9-2-3-10-23/h4-8,11H,2-3,9-10H2,1H3,(H,19,20,21,22)
InChIKeyQBDOCANJKQCMKJ-UHFFFAOYSA-N
XLogP3.65
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230383) is 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is Cc1cccnc1-c1nsc(Nc2ccc(N3CCCC3)cn2)n1.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QBDOCANJKQCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-12-5-4-8-18-15(12)16-21-17(24-22-16)20-14-7-6-13(11-19-14)23-9-2-3-10-23/h4-8,11H,2-3,9-10H2,1H3,(H,19,20,21,22).
What are the key properties of 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 338.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).