2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

C19H14F4N2O2S — CID 16550455

IUPAC2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H14F4N2O2S/c1-2-7-27-11-5-3-10(4-6-11)14-9-28-19(24-14)25-18(26)12-8-13(20)16(22)17(23)15(12)21/h3-6,8-9H,2,7H2,1H3,(H,24,25,26)
InChIKeyYJCLGXVKAQFIKU-UHFFFAOYSA-N
MW410.39 g/mol
LogP5.41
Rot. Bonds6

About 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16550455) has the molecular formula C19H14F4N2O2S and a molecular weight of 410.39 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16550455
Molecular FormulaC19H14F4N2O2S
Molecular Weight410.39 g/mol
Exact Mass410.07
IUPAC Name2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H14F4N2O2S/c1-2-7-27-11-5-3-10(4-6-11)14-9-28-19(24-14)25-18(26)12-8-13(20)16(22)17(23)15(12)21/h3-6,8-9H,2,7H2,1H3,(H,24,25,26)
InChIKeyYJCLGXVKAQFIKU-UHFFFAOYSA-N
XLogP5.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.39
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8918311
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
2,3-dichloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550460
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 42111320
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481
5-methylsulfanyl-2-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 27873181
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 9047093
5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39768846
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224461

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 16550455) is 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCOc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YJCLGXVKAQFIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2S/c1-2-7-27-11-5-3-10(4-6-11)14-9-28-19(24-14)25-18(26)12-8-13(20)16(22)17(23)15(12)21/h3-6,8-9H,2,7H2,1H3,(H,24,25,26).
What are the key properties of 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 410.39 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16550455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).