methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C13H17N3O3S — CID 136573187

IUPACmethyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CC(=O)N(C3CC3)C2)nc1C
InChIInChI=1S/C13H17N3O3S/c1-7-11(12(18)19-2)20-13(14-7)15-8-5-10(17)16(6-8)9-3-4-9/h8-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyZKHMASBVVSSLNZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 136573187) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID136573187
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Namemethyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CC(=O)N(C3CC3)C2)nc1C
InChIInChI=1S/C13H17N3O3S/c1-7-11(12(18)19-2)20-13(14-7)15-8-5-10(17)16(6-8)9-3-4-9/h8-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyZKHMASBVVSSLNZ-UHFFFAOYSA-N
XLogP1.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 107856348
methyl 2-[(3-carbamoylcyclobutyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 154772076
methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate
CID 80569213
ethyl 4-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133357286
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569901
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916372
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569907
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
methyl 4-chloro-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 65470334
methyl 2-[[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 96556712
methyl 2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 94871389

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 136573187) is methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CC(=O)N(C3CC3)C2)nc1C.
What is the InChIKey of methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZKHMASBVVSSLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7-11(12(18)19-2)20-13(14-7)15-8-5-10(17)16(6-8)9-3-4-9/h8-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 136573187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).