methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate

C10H12N2O3S — CID 110486174

IUPACmethyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1nccs1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)7-3-2-5-12(7)9(13)8-11-4-6-16-8/h4,6-7H,2-3,5H2,1H3
InChIKeyNNEWVSVHFOZFEG-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.92
Rot. Bonds2

About methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 110486174) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID110486174
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1nccs1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)7-3-2-5-12(7)9(13)8-11-4-6-16-8/h4,6-7H,2-3,5H2,1H3
InChIKeyNNEWVSVHFOZFEG-UHFFFAOYSA-N
XLogP0.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80640905
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methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-(5-amino-2H-triazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 110484841
methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 64539500
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl (2S)-1-(2-cyanopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 134845489

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate (CID 110486174) is methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1nccs1.
What is the InChIKey of methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is NNEWVSVHFOZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-10(14)7-3-2-5-12(7)9(13)8-11-4-6-16-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 110486174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).