cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

C14H20N2O2S — CID 58171477

IUPACcyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESO=C(OC1CCCCC1)N1CCCC1c1nccs1
InChIInChI=1S/C14H20N2O2S/c17-14(18-11-5-2-1-3-6-11)16-9-4-7-12(16)13-15-8-10-19-13/h8,10-12H,1-7,9H2
InChIKeyFFZSSRXLFSBVLA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.75
Rot. Bonds2

About cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 58171477) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID58171477
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Namecyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESO=C(OC1CCCCC1)N1CCCC1c1nccs1
InChIInChI=1S/C14H20N2O2S/c17-14(18-11-5-2-1-3-6-11)16-9-4-7-12(16)13-15-8-10-19-13/h8,10-12H,1-7,9H2
InChIKeyFFZSSRXLFSBVLA-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761185
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
3-[(2R)-oxolan-2-yl]-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761192
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131942046
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95770186
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (CID 58171477) is cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is O=C(OC1CCCCC1)N1CCCC1c1nccs1.
What is the InChIKey of cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is FFZSSRXLFSBVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(18-11-5-2-1-3-6-11)16-9-4-7-12(16)13-15-8-10-19-13/h8,10-12H,1-7,9H2.
What are the key properties of cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 280.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58171477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).