benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

C17H17N3O4S — CID 3704549

IUPACbenzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
SMILESCc1csc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)n1
InChIInChI=1S/C17H17N3O4S/c1-11-10-25-16(18-11)19-15(22)13-7-8-14(21)20(13)17(23)24-9-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3,(H,18,19,22)
InChIKeyHMCVGKKZBDUYDW-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.72
Rot. Bonds4

About benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate

benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 3704549) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID3704549
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Namebenzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
SMILESCc1csc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)n1
InChIInChI=1S/C17H17N3O4S/c1-11-10-25-16(18-11)19-15(22)13-7-8-14(21)20(13)17(23)24-9-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3,(H,18,19,22)
InChIKeyHMCVGKKZBDUYDW-UHFFFAOYSA-N
XLogP2.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126005827
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl (2S)-2-[[(2S)-1-[(2S)-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 18601000
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847
benzyl (2R)-2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 24739662
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
(3S)-1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 26362758
benzyl 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3119490
benzyl (2S)-2-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 51420400

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate (CID 3704549) is benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate is Cc1csc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is HMCVGKKZBDUYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-11-10-25-16(18-11)19-15(22)13-7-8-14(21)20(13)17(23)24-9-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3,(H,18,19,22).
What are the key properties of benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate?
benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 359.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 3704549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).