N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C15H20N4OS — CID 126788605

IUPACN-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CCC1CCOCC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H20N4OS/c1-19(9-5-12-6-10-20-11-7-12)15-18-17-14(21-15)13-4-2-3-8-16-13/h2-4,8,12H,5-7,9-11H2,1H3
InChIKeyCNMVUZIBHUVJHO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.85
Rot. Bonds5

About N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 126788605) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID126788605
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(CCC1CCOCC1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H20N4OS/c1-19(9-5-12-6-10-20-11-7-12)15-18-17-14(21-15)13-4-2-3-8-16-13/h2-4,8,12H,5-7,9-11H2,1H3
InChIKeyCNMVUZIBHUVJHO-UHFFFAOYSA-N
XLogP2.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 126788605) is N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(CCC1CCOCC1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is CNMVUZIBHUVJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-19(9-5-12-6-10-20-11-7-12)15-18-17-14(21-15)13-4-2-3-8-16-13/h2-4,8,12H,5-7,9-11H2,1H3.
What are the key properties of N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxan-4-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126788605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).