5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C15H22N4S — CID 80607716

IUPAC5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(CC)c2ccccc2C)s1
InChIInChI=1S/C15H22N4S/c1-4-10-16-15-18-17-14(20-15)11-19(5-2)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyCBGBDBRQDODGOK-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.69
Rot. Bonds7

About 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607716) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80607716
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(CC)c2ccccc2C)s1
InChIInChI=1S/C15H22N4S/c1-4-10-16-15-18-17-14(20-15)11-19(5-2)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyCBGBDBRQDODGOK-UHFFFAOYSA-N
XLogP3.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80607716) is 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(CC)c2ccccc2C)s1.
What is the InChIKey of 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CBGBDBRQDODGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-10-16-15-18-17-14(20-15)11-19(5-2)13-9-7-6-8-12(13)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 290.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).