[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate

C19H20BrFN2O3S — CID 55493517

IUPAC[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
SMILESCC(OC(=O)c1ccc(F)cc1Br)C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C19H20BrFN2O3S/c1-12(26-18(25)15-8-7-13(21)11-16(15)20)17(24)23(19-22-9-10-27-19)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3
InChIKeyRZSKEEIYNWASRW-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.96
Rot. Bonds5

About [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate

[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate (PubChem CID 55493517) has the molecular formula C19H20BrFN2O3S and a molecular weight of 455.35 g/mol. Its IUPAC name is [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate.

Molecular Properties

Compound Name[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
PubChem CID55493517
Molecular FormulaC19H20BrFN2O3S
Molecular Weight455.35 g/mol
Exact Mass454.04
IUPAC Name[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
SMILESCC(OC(=O)c1ccc(F)cc1Br)C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C19H20BrFN2O3S/c1-12(26-18(25)15-8-7-13(21)11-16(15)20)17(24)23(19-22-9-10-27-19)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3
InChIKeyRZSKEEIYNWASRW-UHFFFAOYSA-N
XLogP4.96
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 24596831
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-methoxypyridine-3-carboxylate
CID 55556532
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 42932154
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate
CID 55486499
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600777
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55487043
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 18267986
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55494120
methyl 1-[2-[(2S)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate
CID 30177123
N-cyclohexyl-2-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide;N-cyclohexyl-2-(3-imino-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 68886505
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 55495121
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 55497682

Frequently Asked Questions

What is the IUPAC name of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate?
The IUPAC name of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate (CID 55493517) is [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate.
What is the SMILES notation for [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate?
The canonical SMILES for [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate is CC(OC(=O)c1ccc(F)cc1Br)C(=O)N(c1nccs1)C1CCCCC1.
What is the InChIKey of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate?
The InChIKey is RZSKEEIYNWASRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3S/c1-12(26-18(25)15-8-7-13(21)11-16(15)20)17(24)23(19-22-9-10-27-19)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3.
What are the key properties of [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate?
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate has a molecular weight of 455.35 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate is sourced from PubChem (CID 55493517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).