N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide

C20H17FN2O3S — CID 4815640

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C=Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C20H17FN2O3S/c1-25-15-7-8-18(26-2)16(11-15)17-12-27-20(22-17)23-19(24)9-6-13-4-3-5-14(21)10-13/h3-12H,1-2H3,(H,22,23,24)
InChIKeyHPJMGQJTCZZOOH-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.62
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 4815640) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID4815640
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C=Cc3cccc(F)c3)n2)c1
InChIInChI=1S/C20H17FN2O3S/c1-25-15-7-8-18(26-2)16(11-15)17-12-27-20(22-17)23-19(24)9-6-13-4-3-5-14(21)10-13/h3-12H,1-2H3,(H,22,23,24)
InChIKeyHPJMGQJTCZZOOH-UHFFFAOYSA-N
XLogP4.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 4117438
(E)-3-(4-cyanophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 8873194
(E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1011282
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 55415620
(E)-3-[4-(3-fluorophenyl)-2-methoxyphenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722717
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 8511397
(E)-3-(1,3-benzothiazol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 55777240
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
(E)-3-(3-fluorophenyl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 9100769
(E)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6263118
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide (CID 4815640) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide is COc1ccc(OC)c(-c2csc(NC(=O)C=Cc3cccc(F)c3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is HPJMGQJTCZZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-25-15-7-8-18(26-2)16(11-15)17-12-27-20(22-17)23-19(24)9-6-13-4-3-5-14(21)10-13/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 384.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 4815640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).