5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

C12H9ClFN5S — CID 19574954

IUPAC5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cc(Cl)c(-c2nnc(Nc3ccc(F)cc3)s2)n1
InChIInChI=1S/C12H9ClFN5S/c1-19-6-9(13)10(18-19)11-16-17-12(20-11)15-8-4-2-7(14)3-5-8/h2-6H,1H3,(H,15,17)
InChIKeyFEVWPMWCSUAOQY-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.47
Rot. Bonds3

About 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 19574954) has the molecular formula C12H9ClFN5S and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID19574954
Molecular FormulaC12H9ClFN5S
Molecular Weight309.76 g/mol
Exact Mass309.03
IUPAC Name5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cc(Cl)c(-c2nnc(Nc3ccc(F)cc3)s2)n1
InChIInChI=1S/C12H9ClFN5S/c1-19-6-9(13)10(18-19)11-16-17-12(20-11)15-8-4-2-7(14)3-5-8/h2-6H,1H3,(H,15,17)
InChIKeyFEVWPMWCSUAOQY-UHFFFAOYSA-N
XLogP3.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.47
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-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 19574954) is 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Cn1cc(Cl)c(-c2nnc(Nc3ccc(F)cc3)s2)n1.
What is the InChIKey of 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FEVWPMWCSUAOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN5S/c1-19-6-9(13)10(18-19)11-16-17-12(20-11)15-8-4-2-7(14)3-5-8/h2-6H,1H3,(H,15,17).
What are the key properties of 5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-(4-chloro-1-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 309.76 g/mol, XLogP of 3.47, 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-methylpyrazol-3-yl)-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 19574954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).