methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

C17H25N3O4S — CID 95859392

IUPACmethyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)sc1C(C)C
InChIInChI=1S/C17H25N3O4S/c1-9(2)7-20-8-11(6-12(20)21)15(22)19-17-18-13(16(23)24-5)14(25-17)10(3)4/h9-11H,6-8H2,1-5H3,(H,18,19,22)/t11-/m0/s1
InChIKeyRJQUMHQXMXDZBE-NSHDSACASA-N
MW367.47 g/mol
LogP2.50
Rot. Bonds6

About methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 95859392) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID95859392
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Namemethyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)sc1C(C)C
InChIInChI=1S/C17H25N3O4S/c1-9(2)7-20-8-11(6-12(20)21)15(22)19-17-18-13(16(23)24-5)14(25-17)10(3)4/h9-11H,6-8H2,1-5H3,(H,18,19,22)/t11-/m0/s1
InChIKeyRJQUMHQXMXDZBE-NSHDSACASA-N
XLogP2.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[[(3R)-5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 97426880
methyl 2-[[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71708577
N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597297
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46596910
methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
CID 37028365
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 97264226
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
N-(3-hydroxy-4-methoxybutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103877477
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 95859392) is methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)sc1C(C)C.
What is the InChIKey of methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is RJQUMHQXMXDZBE-NSHDSACASA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-9(2)7-20-8-11(6-12(20)21)15(22)19-17-18-13(16(23)24-5)14(25-17)10(3)4/h9-11H,6-8H2,1-5H3,(H,18,19,22)/t11-/m0/s1.
What are the key properties of methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 367.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 95859392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).