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

C19H16F2N2O2S — CID 8918311

IUPAC2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C19H16F2N2O2S/c1-2-9-25-14-6-3-12(4-7-14)17-11-26-19(22-17)23-18(24)15-8-5-13(20)10-16(15)21/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)
InChIKeyAZTCQAKSTDQWHU-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.13
Rot. Bonds6

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

2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 8918311) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID8918311
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC Name2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C19H16F2N2O2S/c1-2-9-25-14-6-3-12(4-7-14)17-11-26-19(22-17)23-18(24)15-8-5-13(20)10-16(15)21/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)
InChIKeyAZTCQAKSTDQWHU-UHFFFAOYSA-N
XLogP5.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550455
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
2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 42111320
2-methoxy-5-nitro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 9047093
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
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
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
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 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 8918311) is 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AZTCQAKSTDQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-2-9-25-14-6-3-12(4-7-14)17-11-26-19(22-17)23-18(24)15-8-5-13(20)10-16(15)21/h3-8,10-11H,2,9H2,1H3,(H,22,23,24).
What are the key properties of 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 374.41 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8918311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).