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

C16H17N5OS — CID 155230579

IUPACN-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C16H17N5OS/c1-10(2)22-12-6-7-13(18-9-12)15-20-16(23-21-15)19-14-11(3)5-4-8-17-14/h4-10H,1-3H3,(H,17,19,20,21)
InChIKeyIYOSZTMOGCTSQK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.83
Rot. Bonds5

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

N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230579) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230579
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C16H17N5OS/c1-10(2)22-12-6-7-13(18-9-12)15-20-16(23-21-15)19-14-11(3)5-4-8-17-14/h4-10H,1-3H3,(H,17,19,20,21)
InChIKeyIYOSZTMOGCTSQK-UHFFFAOYSA-N
XLogP3.83
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine 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 N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230579) is N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is Cc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IYOSZTMOGCTSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10(2)22-12-6-7-13(18-9-12)15-20-16(23-21-15)19-14-11(3)5-4-8-17-14/h4-10H,1-3H3,(H,17,19,20,21).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 327.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).