N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide

C19H13F4N3O2S — CID 25485702

IUPACN-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H13F4N3O2S/c20-11-2-3-12(14(22)8-11)18(28)24-6-5-17(27)26-19-25-16(9-29-19)10-1-4-13(21)15(23)7-10/h1-4,7-9H,5-6H2,(H,24,28)(H,25,26,27)
InChIKeyIZXQHCWXJKUPPE-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 25485702) has the molecular formula C19H13F4N3O2S and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID25485702
Molecular FormulaC19H13F4N3O2S
Molecular Weight423.39 g/mol
Exact Mass423.07
IUPAC NameN-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H13F4N3O2S/c20-11-2-3-12(14(22)8-11)18(28)24-6-5-17(27)26-19-25-16(9-29-19)10-1-4-13(21)15(23)7-10/h1-4,7-9H,5-6H2,(H,24,28)(H,25,26,27)
InChIKeyIZXQHCWXJKUPPE-UHFFFAOYSA-N
XLogP4.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide with MolForge

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Related Compounds

N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657106
2,4-difluoro-N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 55494134
2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 24597210
2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 55494609
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55667223
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 26207672
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999849
2,4-difluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915677

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 25485702) is N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is IZXQHCWXJKUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2S/c20-11-2-3-12(14(22)8-11)18(28)24-6-5-17(27)26-19-25-16(9-29-19)10-1-4-13(21)15(23)7-10/h1-4,7-9H,5-6H2,(H,24,28)(H,25,26,27).
What are the key properties of N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 423.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 25485702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).