3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C18H19N5OS — CID 155230452

IUPAC3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1cccnc1Nc1nc(-c2ccc(OC3CC3)cn2)ns1
InChIInChI=1S/C18H19N5OS/c1-11(2)14-4-3-9-19-16(14)21-18-22-17(23-25-18)15-8-7-13(10-20-15)24-12-5-6-12/h3-4,7-12H,5-6H2,1-2H3,(H,19,21,22,23)
InChIKeyMDLJJXMZWWWRJL-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.40
Rot. Bonds6

About 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230452) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230452
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1cccnc1Nc1nc(-c2ccc(OC3CC3)cn2)ns1
InChIInChI=1S/C18H19N5OS/c1-11(2)14-4-3-9-19-16(14)21-18-22-17(23-25-18)15-8-7-13(10-20-15)24-12-5-6-12/h3-4,7-12H,5-6H2,1-2H3,(H,19,21,22,23)
InChIKeyMDLJJXMZWWWRJL-UHFFFAOYSA-N
XLogP4.40
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230452) is 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is CC(C)c1cccnc1Nc1nc(-c2ccc(OC3CC3)cn2)ns1.
What is the InChIKey of 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MDLJJXMZWWWRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11(2)14-4-3-9-19-16(14)21-18-22-17(23-25-18)15-8-7-13(10-20-15)24-12-5-6-12/h3-4,7-12H,5-6H2,1-2H3,(H,19,21,22,23).
What are the key properties of 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 353.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyloxy-2-pyridinyl)-N-(3-propan-2-yl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).