N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide

C19H18FN5OS — CID 51353242

IUPACN-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1
InChIInChI=1S/C19H18FN5OS/c1-10-18(27-24-22-10)19(26)21-13-6-7-16(14(20)8-13)25-17(12-4-5-12)9-15(23-25)11-2-3-11/h6-9,11-12H,2-5H2,1H3,(H,21,26)
InChIKeyUOXHLYMLCPPNGX-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.18
Rot. Bonds5

About N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide

N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 51353242) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID51353242
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1
InChIInChI=1S/C19H18FN5OS/c1-10-18(27-24-22-10)19(26)21-13-6-7-16(14(20)8-13)25-17(12-4-5-12)9-15(23-25)11-2-3-11/h6-9,11-12H,2-5H2,1H3,(H,21,26)
InChIKeyUOXHLYMLCPPNGX-UHFFFAOYSA-N
XLogP4.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide (CID 51353242) is N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1.
What is the InChIKey of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is UOXHLYMLCPPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c1-10-18(27-24-22-10)19(26)21-13-6-7-16(14(20)8-13)25-17(12-4-5-12)9-15(23-25)11-2-3-11/h6-9,11-12H,2-5H2,1H3,(H,21,26).
What are the key properties of N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 51353242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).