N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine

C14H14FN5S — CID 82528402

IUPACN-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cnn(-c3ccccc3F)c2C)s1
InChIInChI=1S/C14H14FN5S/c1-3-16-14-19-18-13(21-14)10-8-17-20(9(10)2)12-7-5-4-6-11(12)15/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyAENXMNKPUAGKJH-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.27
Rot. Bonds4

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

N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82528402) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82528402
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC NameN-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cnn(-c3ccccc3F)c2C)s1
InChIInChI=1S/C14H14FN5S/c1-3-16-14-19-18-13(21-14)10-8-17-20(9(10)2)12-7-5-4-6-11(12)15/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyAENXMNKPUAGKJH-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528380
5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528696
N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 61037549
N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528778
N-ethyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 25220460
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440670
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528304
N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
CID 82528750
N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82449224
1-(2-fluorophenyl)-5-methyl-N-[(1R)-1-(1-methylimidazol-2-yl)propyl]pyrazol-4-amine
CID 99782030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine (CID 82528402) is N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2cnn(-c3ccccc3F)c2C)s1.
What is the InChIKey of N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AENXMNKPUAGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c1-3-16-14-19-18-13(21-14)10-8-17-20(9(10)2)12-7-5-4-6-11(12)15/h4-8H,3H2,1-2H3,(H,16,19).
What are the key properties of N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 303.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82528402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).