N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide

C20H19FN2OS — CID 138674443

IUPACN-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)s1
InChIInChI=1S/C20H19FN2OS/c1-14-13-23-20(25-14)19(24)22-12-4-5-15-8-10-16(11-9-15)17-6-2-3-7-18(17)21/h2-3,6-11,13H,4-5,12H2,1H3,(H,22,24)
InChIKeyZACWEPYURNOPMZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.62
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 138674443) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID138674443
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)s1
InChIInChI=1S/C20H19FN2OS/c1-14-13-23-20(25-14)19(24)22-12-4-5-15-8-10-16(11-9-15)17-6-2-3-7-18(17)21/h2-3,6-11,13H,4-5,12H2,1H3,(H,22,24)
InChIKeyZACWEPYURNOPMZ-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
CID 138674577
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
CID 138674657
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138674538
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 138674482
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2,3-dihydro-1H-benzotriazole-5-carboxamide
CID 176943782
N-[3-[4-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 138674676
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
2-[[4-fluoro-3-[4-[3-[[2-(4-methoxyphenyl)acetyl]amino]propyl]phenyl]phenyl]methyl]-N-[3-[4-(2-fluorophenyl)phenyl]propyl]-3H-benzimidazole-5-carboxamide
CID 138722240
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide (CID 138674443) is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)s1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZACWEPYURNOPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-14-13-23-20(25-14)19(24)22-12-4-5-15-8-10-16(11-9-15)17-6-2-3-7-18(17)21/h2-3,6-11,13H,4-5,12H2,1H3,(H,22,24).
What are the key properties of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide?
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 138674443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).