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

C10H15N5S — CID 65274201

IUPAC3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(Nc2cnn(C(C)C)c2)n1
InChIInChI=1S/C10H15N5S/c1-4-9-13-10(16-14-9)12-8-5-11-15(6-8)7(2)3/h5-7H,4H2,1-3H3,(H,12,13,14)
InChIKeyGSDOYQMRITUBKM-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.62
Rot. Bonds4

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

3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274201) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65274201
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(Nc2cnn(C(C)C)c2)n1
InChIInChI=1S/C10H15N5S/c1-4-9-13-10(16-14-9)12-8-5-11-15(6-8)7(2)3/h5-7H,4H2,1-3H3,(H,12,13,14)
InChIKeyGSDOYQMRITUBKM-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 65274201) is 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is CCc1nsc(Nc2cnn(C(C)C)c2)n1.
What is the InChIKey of 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GSDOYQMRITUBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-4-9-13-10(16-14-9)12-8-5-11-15(6-8)7(2)3/h5-7H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-propan-2-ylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).