3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C16H17N5O2S — CID 155230807

IUPAC3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(-c2nsc(Nc3cc(OC(C)C)ccn3)n2)nc1
InChIInChI=1S/C16H17N5O2S/c1-10(2)23-11-6-7-17-14(8-11)19-16-20-15(21-24-16)13-5-4-12(22-3)9-18-13/h4-10H,1-3H3,(H,17,19,20,21)
InChIKeyKMVPOYJBMMMZNP-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.53
Rot. Bonds6

About 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine

3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230807) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230807
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(-c2nsc(Nc3cc(OC(C)C)ccn3)n2)nc1
InChIInChI=1S/C16H17N5O2S/c1-10(2)23-11-6-7-17-14(8-11)19-16-20-15(21-24-16)13-5-4-12(22-3)9-18-13/h4-10H,1-3H3,(H,17,19,20,21)
InChIKeyKMVPOYJBMMMZNP-UHFFFAOYSA-N
XLogP3.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230807) is 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is COc1ccc(-c2nsc(Nc3cc(OC(C)C)ccn3)n2)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KMVPOYJBMMMZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10(2)23-11-6-7-17-14(8-11)19-16-20-15(21-24-16)13-5-4-12(22-3)9-18-13/h4-10H,1-3H3,(H,17,19,20,21).
What are the key properties of 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 343.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).