1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine

C15H22N4S — CID 135099432

IUPAC1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2snnc2C(C)C)nc1
InChIInChI=1S/C15H22N4S/c1-5-12-6-7-13(16-8-12)9-19(4)10-14-15(11(2)3)17-18-20-14/h6-8,11H,5,9-10H2,1-4H3
InChIKeyOOPJHEQTGAAYPX-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.25
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine

1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine (PubChem CID 135099432) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine
PubChem CID135099432
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2snnc2C(C)C)nc1
InChIInChI=1S/C15H22N4S/c1-5-12-6-7-13(16-8-12)9-19(4)10-14-15(11(2)3)17-18-20-14/h6-8,11H,5,9-10H2,1-4H3
InChIKeyOOPJHEQTGAAYPX-UHFFFAOYSA-N
XLogP3.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine (CID 135099432) is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine is CCc1ccc(CN(C)Cc2snnc2C(C)C)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
The InChIKey is OOPJHEQTGAAYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-12-6-7-13(16-8-12)9-19(4)10-14-15(11(2)3)17-18-20-14/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine has a molecular weight of 290.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 135099432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).