[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

C18H20FN3O4S — CID 8513978

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C18H20FN3O4S/c1-4-10(2)20-18(25)22-14(23)9-26-17(24)15-11(3)21-16(27-15)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,20,22,23,25)/t10-/m1/s1
InChIKeyAAZHXAVOKMSPGW-SNVBAGLBSA-N
MW393.44 g/mol
LogP3.04
Rot. Bonds6

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 8513978) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID8513978
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C18H20FN3O4S/c1-4-10(2)20-18(25)22-14(23)9-26-17(24)15-11(3)21-16(27-15)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,20,22,23,25)/t10-/m1/s1
InChIKeyAAZHXAVOKMSPGW-SNVBAGLBSA-N
XLogP3.04
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 27799510
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837726
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647550
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512198
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512455
[2-(4-fluoroanilino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721000
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837717
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8511954
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 55394652
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513840

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 8513978) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is CC[C@@H](C)NC(=O)NC(=O)COC(=O)c1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is AAZHXAVOKMSPGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-4-10(2)20-18(25)22-14(23)9-26-17(24)15-11(3)21-16(27-15)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,20,22,23,25)/t10-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8513978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).