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

C9H12ClN5S — CID 3547029

IUPAC5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2c(Cl)c(C)nn2C)s1
InChIInChI=1S/C9H12ClN5S/c1-4-11-9-13-12-8(16-9)7-6(10)5(2)14-15(7)3/h4H2,1-3H3,(H,11,13)
InChIKeyZTFOAXUULIJPFS-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.33
Rot. Bonds3

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

5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 3547029) has the molecular formula C9H12ClN5S and a molecular weight of 257.75 g/mol. Its IUPAC name is 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID3547029
Molecular FormulaC9H12ClN5S
Molecular Weight257.75 g/mol
Exact Mass257.05
IUPAC Name5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2c(Cl)c(C)nn2C)s1
InChIInChI=1S/C9H12ClN5S/c1-4-11-9-13-12-8(16-9)7-6(10)5(2)14-15(7)3/h4H2,1-3H3,(H,11,13)
InChIKeyZTFOAXUULIJPFS-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 3547029) is 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2c(Cl)c(C)nn2C)s1.
What is the InChIKey of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZTFOAXUULIJPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5S/c1-4-11-9-13-12-8(16-9)7-6(10)5(2)14-15(7)3/h4H2,1-3H3,(H,11,13).
What are the key properties of 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 257.75 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3547029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).