methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

C17H18FN3O3S — CID 94647532

IUPACmethyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H18FN3O3S/c1-10-14(16(22)24-2)15(25-20-10)19-17(23)21-8-4-7-13(21)11-5-3-6-12(18)9-11/h3,5-6,9,13H,4,7-8H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyCUKDKCLFLNYFSY-CYBMUJFWSA-N
MW363.41 g/mol
LogP3.75
Rot. Bonds3

About methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate

methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 94647532) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID94647532
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Namemethyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H18FN3O3S/c1-10-14(16(22)24-2)15(25-20-10)19-17(23)21-8-4-7-13(21)11-5-3-6-12(18)9-11/h3,5-6,9,13H,4,7-8H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyCUKDKCLFLNYFSY-CYBMUJFWSA-N
XLogP3.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 51694845
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
methyl 2-[[2-(3-methylphenyl)pyrrolidine-1-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 50747182
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
2-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 110900683
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(2S)-N-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate (CID 94647532) is methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is CUKDKCLFLNYFSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-10-14(16(22)24-2)15(25-20-10)19-17(23)21-8-4-7-13(21)11-5-3-6-12(18)9-11/h3,5-6,9,13H,4,7-8H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate?
methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 94647532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).