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

C11H17N5S — CID 75517155

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cnn(CC)c2)s1
InChIInChI=1S/C11H17N5S/c1-3-5-10-14-15-11(17-10)12-6-9-7-13-16(4-2)8-9/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyULAFBFIMZITPAV-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.32
Rot. Bonds6

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

N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 75517155) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID75517155
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NCc2cnn(CC)c2)s1
InChIInChI=1S/C11H17N5S/c1-3-5-10-14-15-11(17-10)12-6-9-7-13-16(4-2)8-9/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyULAFBFIMZITPAV-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine (CID 75517155) is N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(NCc2cnn(CC)c2)s1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ULAFBFIMZITPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-5-10-14-15-11(17-10)12-6-9-7-13-16(4-2)8-9/h7-8H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75517155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).