4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide

C24H18FN3O2S2 — CID 166597151

IUPAC4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1sc(NC(=O)C2CC2c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O2S2/c25-16-10-8-15(9-11-16)21(29)27-23-20(19-7-4-12-31-19)26-24(32-23)28-22(30)18-13-17(18)14-5-2-1-3-6-14/h1-12,17-18H,13H2,(H,27,29)(H,26,28,30)
InChIKeyDFDKICYKVKEHNE-UHFFFAOYSA-N
MW463.56 g/mol
LogP6.01
Rot. Bonds6

About 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide

4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide (PubChem CID 166597151) has the molecular formula C24H18FN3O2S2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
PubChem CID166597151
Molecular FormulaC24H18FN3O2S2
Molecular Weight463.56 g/mol
Exact Mass463.08
IUPAC Name4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
SMILESO=C(Nc1sc(NC(=O)C2CC2c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O2S2/c25-16-10-8-15(9-11-16)21(29)27-23-20(19-7-4-12-31-19)26-24(32-23)28-22(30)18-13-17(18)14-5-2-1-3-6-14/h1-12,17-18H,13H2,(H,27,29)(H,26,28,30)
InChIKeyDFDKICYKVKEHNE-UHFFFAOYSA-N
XLogP6.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-phenyl-2-(2-phenylcyclopropyl)-1,3-thiazol-5-yl]benzamide
CID 154811060
4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 34306485
2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
CID 45128836
cis-(1S,2R)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 2536061
ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
CID 154811058
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]benzohydrazide
CID 51291955
4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
CID 171703835
4-fluoro-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide
CID 6579165
N-(2-amino-4-fluorophenyl)-4-[[(1R)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325533
N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325532
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 35760812

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide (CID 166597151) is 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide is O=C(Nc1sc(NC(=O)C2CC2c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
The InChIKey is DFDKICYKVKEHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2S2/c25-16-10-8-15(9-11-16)21(29)27-23-20(19-7-4-12-31-19)26-24(32-23)28-22(30)18-13-17(18)14-5-2-1-3-6-14/h1-12,17-18H,13H2,(H,27,29)(H,26,28,30).
What are the key properties of 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide?
4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(2-phenylcyclopropanecarbonyl)amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 166597151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).