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

C17H20N6OS — CID 155230487

IUPAC3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCC(C)Oc1ccc(-c2nsc(Nc3ncccc3N(C)C)n2)nc1
InChIInChI=1S/C17H20N6OS/c1-11(2)24-12-7-8-13(19-10-12)15-20-17(25-22-15)21-16-14(23(3)4)6-5-9-18-16/h5-11H,1-4H3,(H,18,20,21,22)
InChIKeyNYDIIINCGJYCSI-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.59
Rot. Bonds6

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

3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (PubChem CID 155230487) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
PubChem CID155230487
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
SMILESCC(C)Oc1ccc(-c2nsc(Nc3ncccc3N(C)C)n2)nc1
InChIInChI=1S/C17H20N6OS/c1-11(2)24-12-7-8-13(19-10-12)15-20-17(25-22-15)21-16-14(23(3)4)6-5-9-18-16/h5-11H,1-4H3,(H,18,20,21,22)
InChIKeyNYDIIINCGJYCSI-UHFFFAOYSA-N
XLogP3.59
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-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,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine (CID 155230487) is 3-N,3-N-dimethyl-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,3-N-dimethyl-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,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is CC(C)Oc1ccc(-c2nsc(Nc3ncccc3N(C)C)n2)nc1.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
The InChIKey is NYDIIINCGJYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11(2)24-12-7-8-13(19-10-12)15-20-17(25-22-15)21-16-14(23(3)4)6-5-9-18-16/h5-11H,1-4H3,(H,18,20,21,22).
What are the key properties of 3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine?
3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine has a molecular weight of 356.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine is sourced from PubChem (CID 155230487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).