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

C13H21N5S — CID 80608986

IUPAC5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(Cn2nc(C)c(CC)c2C)s1
InChIInChI=1S/C13H21N5S/c1-5-7-14-13-16-15-12(19-13)8-18-10(4)11(6-2)9(3)17-18/h5-8H2,1-4H3,(H,14,16)
InChIKeyBNFAMEUPGHQBFH-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.78
Rot. Bonds6

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

5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80608986) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80608986
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(Cn2nc(C)c(CC)c2C)s1
InChIInChI=1S/C13H21N5S/c1-5-7-14-13-16-15-12(19-13)8-18-10(4)11(6-2)9(3)17-18/h5-8H2,1-4H3,(H,14,16)
InChIKeyBNFAMEUPGHQBFH-UHFFFAOYSA-N
XLogP2.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80608986) is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(Cn2nc(C)c(CC)c2C)s1.
What is the InChIKey of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BNFAMEUPGHQBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-7-14-13-16-15-12(19-13)8-18-10(4)11(6-2)9(3)17-18/h5-8H2,1-4H3,(H,14,16).
What are the key properties of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).