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

C9H13N5S — CID 4184673

IUPAC5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc(C)n(C)n2)s1
InChIInChI=1S/C9H13N5S/c1-4-10-9-12-11-8(15-9)7-5-6(2)14(3)13-7/h5H,4H2,1-3H3,(H,10,12)
InChIKeyAVXMHUVWAQCGRQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.68
Rot. Bonds3

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

5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 4184673) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID4184673
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc(C)n(C)n2)s1
InChIInChI=1S/C9H13N5S/c1-4-10-9-12-11-8(15-9)7-5-6(2)14(3)13-7/h5H,4H2,1-3H3,(H,10,12)
InChIKeyAVXMHUVWAQCGRQ-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 4184673) is 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2cc(C)n(C)n2)s1.
What is the InChIKey of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AVXMHUVWAQCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-4-10-9-12-11-8(15-9)7-5-6(2)14(3)13-7/h5H,4H2,1-3H3,(H,10,12).
What are the key properties of 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4184673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).