methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate

C11H14ClN3O3S — CID 47256173

IUPACmethyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC(=O)N2CCCC2)nc1Cl
InChIInChI=1S/C11H14ClN3O3S/c1-18-10(17)8-9(12)14-11(19-8)13-6-7(16)15-4-2-3-5-15/h2-6H2,1H3,(H,13,14)
InChIKeyLYFOJYCOBFIADT-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.62
Rot. Bonds4

About methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 47256173) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID47256173
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Namemethyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC(=O)N2CCCC2)nc1Cl
InChIInChI=1S/C11H14ClN3O3S/c1-18-10(17)8-9(12)14-11(19-8)13-6-7(16)15-4-2-3-5-15/h2-6H2,1H3,(H,13,14)
InChIKeyLYFOJYCOBFIADT-UHFFFAOYSA-N
XLogP1.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

Ethyl 4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate
CID 72196368
Methyl 4-chloro-2-(4,4,4-trifluorobutylamino)-1,3-thiazole-5-carboxylate
CID 79040963
Methyl 4-chloro-2-[[1-(2,2-difluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 132394911
Methyl 4-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-1,3-thiazole-5-carboxylate
CID 133311149
Methyl 4-chloro-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 133371454
Methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 47256155
Methyl 4-chloro-2-(2-methylpropylamino)-1,3-thiazole-5-carboxylate
CID 47256161
Methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate
CID 47256163
Methyl 4-chloro-2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 47256168
Methyl 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate
CID 47256260
Methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate
CID 47256261
Methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate
CID 47256272

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate (CID 47256173) is methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCC(=O)N2CCCC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LYFOJYCOBFIADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c1-18-10(17)8-9(12)14-11(19-8)13-6-7(16)15-4-2-3-5-15/h2-6H2,1H3,(H,13,14).
What are the key properties of methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 303.77 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47256173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).