3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

C19H16FN3O3S — CID 134041781

IUPAC3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16FN3O3S/c1-12-2-6-14(10-17(12)23(25)26)16-11-27-19(21-16)22-18(24)9-5-13-3-7-15(20)8-4-13/h2-4,6-8,10-11H,5,9H2,1H3,(H,21,22,24)
InChIKeyJKHJFDVGSLIHLN-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.74
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 134041781) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID134041781
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16FN3O3S/c1-12-2-6-14(10-17(12)23(25)26)16-11-27-19(21-16)22-18(24)9-5-13-3-7-15(20)8-4-13/h2-4,6-8,10-11H,5,9H2,1H3,(H,21,22,24)
InChIKeyJKHJFDVGSLIHLN-UHFFFAOYSA-N
XLogP4.74
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 55469439
2-cyclopentyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 71943790
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
3-cyclopentylsulfonyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 55759416
3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19221286
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55633682
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
3-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55493747

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide (CID 134041781) is 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)CCc3ccc(F)cc3)n2)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is JKHJFDVGSLIHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-12-2-6-14(10-17(12)23(25)26)16-11-27-19(21-16)22-18(24)9-5-13-3-7-15(20)8-4-13/h2-4,6-8,10-11H,5,9H2,1H3,(H,21,22,24).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 385.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 134041781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).