methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate

C10H12N2O3S — CID 78925984

IUPACmethyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)7-2-3-12(4-7)9(13)8-5-16-6-11-8/h5-7H,2-4H2,1H3
InChIKeyGQTHWZPUJNDHCQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.78
Rot. Bonds2

About methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 78925984) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
PubChem CID78925984
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C10H12N2O3S/c1-15-10(14)7-2-3-12(4-7)9(13)8-5-16-6-11-8/h5-7H,2-4H2,1H3
InChIKeyGQTHWZPUJNDHCQ-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 115667248
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate (CID 78925984) is methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cscn2)C1.
What is the InChIKey of methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is GQTHWZPUJNDHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-10(14)7-2-3-12(4-7)9(13)8-5-16-6-11-8/h5-7H,2-4H2,1H3.
What are the key properties of methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 0.78, 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-4-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78925984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).