3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine

C16H18N6OS — CID 155230270

IUPAC3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCNc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C16H18N6OS/c1-10(2)23-11-6-7-13(19-9-11)15-21-16(24-22-15)20-14-12(17-3)5-4-8-18-14/h4-10,17H,1-3H3,(H,18,20,21,22)
InChIKeyWSWAXZBFFATLID-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.57
Rot. Bonds6

About 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine

3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (PubChem CID 155230270) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
PubChem CID155230270
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCNc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C16H18N6OS/c1-10(2)23-11-6-7-13(19-9-11)15-21-16(24-22-15)20-14-12(17-3)5-4-8-18-14/h4-10,17H,1-3H3,(H,18,20,21,22)
InChIKeyWSWAXZBFFATLID-UHFFFAOYSA-N
XLogP3.57
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The IUPAC name of 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (CID 155230270) is 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is CNc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1.
What is the InChIKey of 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The InChIKey is WSWAXZBFFATLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-10(2)23-11-6-7-13(19-9-11)15-21-16(24-22-15)20-14-12(17-3)5-4-8-18-14/h4-10,17H,1-3H3,(H,18,20,21,22).
What are the key properties of 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine has a molecular weight of 342.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is sourced from PubChem (CID 155230270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).