5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C11H17N5S — CID 4089127

IUPAC5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(NCC(C)C)s2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-7(2)6-12-11-14-13-10(17-11)9-5-8(3)15-16(9)4/h5,7H,6H2,1-4H3,(H,12,14)
InChIKeyUUTBAVIJRYYYSE-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.31
Rot. Bonds4

About 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4089127) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID4089127
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(NCC(C)C)s2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-7(2)6-12-11-14-13-10(17-11)9-5-8(3)15-16(9)4/h5,7H,6H2,1-4H3,(H,12,14)
InChIKeyUUTBAVIJRYYYSE-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 4089127) is 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is Cc1cc(-c2nnc(NCC(C)C)s2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UUTBAVIJRYYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)6-12-11-14-13-10(17-11)9-5-8(3)15-16(9)4/h5,7H,6H2,1-4H3,(H,12,14).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4089127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).