N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

C19H15F2N3O3S — CID 38999849

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESO=C(/C=C/c1ccco1)NCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H15F2N3O3S/c20-14-5-3-12(10-15(14)21)16-11-28-19(23-16)24-18(26)7-8-22-17(25)6-4-13-2-1-9-27-13/h1-6,9-11H,7-8H2,(H,22,25)(H,23,24,26)/b6-4+
InChIKeyDBRGXIWYYOHHAQ-GQCTYLIASA-N
MW403.41 g/mol
LogP3.84
Rot. Bonds7

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (PubChem CID 38999849) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
PubChem CID38999849
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESO=C(/C=C/c1ccco1)NCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H15F2N3O3S/c20-14-5-3-12(10-15(14)21)16-11-28-19(23-16)24-18(26)7-8-22-17(25)6-4-13-2-1-9-27-13/h1-6,9-11H,7-8H2,(H,22,25)(H,23,24,26)/b6-4+
InChIKeyDBRGXIWYYOHHAQ-GQCTYLIASA-N
XLogP3.84
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55667223
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702
3-[3-(furan-2-yl)prop-2-enoylamino]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 55615934
3-(furan-2-yl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 1299086
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 26307182
3-(furan-2-yl)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 2921138
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5059460
N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 75383403
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55629056
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999972

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (CID 38999849) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is O=C(/C=C/c1ccco1)NCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The InChIKey is DBRGXIWYYOHHAQ-GQCTYLIASA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c20-14-5-3-12(10-15(14)21)16-11-28-19(23-16)24-18(26)7-8-22-17(25)6-4-13-2-1-9-27-13/h1-6,9-11H,7-8H2,(H,22,25)(H,23,24,26)/b6-4+.
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide has a molecular weight of 403.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 38999849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).