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

C17H19N5OS — CID 155230663

IUPACN-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1N(C)c1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C17H19N5OS/c1-11(2)23-13-7-8-14(19-10-13)15-20-17(24-21-15)22(4)16-12(3)6-5-9-18-16/h5-11H,1-4H3
InChIKeyJMNDKFNXOQVSLD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.86
Rot. Bonds5

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

N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230663) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230663
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1N(C)c1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C17H19N5OS/c1-11(2)23-13-7-8-14(19-10-13)15-20-17(24-21-15)22(4)16-12(3)6-5-9-18-16/h5-11H,1-4H3
InChIKeyJMNDKFNXOQVSLD-UHFFFAOYSA-N
XLogP3.86
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230663) is N-methyl-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-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is Cc1cccnc1N(C)c1nc(-c2ccc(OC(C)C)cn2)ns1.
What is the InChIKey of N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JMNDKFNXOQVSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11(2)23-13-7-8-14(19-10-13)15-20-17(24-21-15)22(4)16-12(3)6-5-9-18-16/h5-11H,1-4H3.
What are the key properties of N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 341.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).