carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole

C11H16N2O3S — CID 161487034

IUPACcarbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
SMILESCCc1csc(N2CC[C@@H](OC)C2)n1.O=C=O
InChIInChI=1S/C10H16N2OS.CO2/c1-3-8-7-14-10(11-8)12-5-4-9(6-12)13-2;2-1-3/h7,9H,3-6H2,1-2H3;/t9-;/m1./s1
InChIKeyWFCKGTXUFFYNOT-SBSPUUFOSA-N
MW256.33 g/mol
LogP1.35
Rot. Bonds3

About carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole

carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole (PubChem CID 161487034) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Namecarbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
PubChem CID161487034
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namecarbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
SMILESCCc1csc(N2CC[C@@H](OC)C2)n1.O=C=O
InChIInChI=1S/C10H16N2OS.CO2/c1-3-8-7-14-10(11-8)12-5-4-9(6-12)13-2;2-1-3/h7,9H,3-6H2,1-2H3;/t9-;/m1./s1
InChIKeyWFCKGTXUFFYNOT-SBSPUUFOSA-N
XLogP1.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672
2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-amine
CID 102547220
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 90291460
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486208
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde
CID 89222120
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole (CID 161487034) is carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole is CCc1csc(N2CC[C@@H](OC)C2)n1.O=C=O.
What is the InChIKey of carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is WFCKGTXUFFYNOT-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H16N2OS.CO2/c1-3-8-7-14-10(11-8)12-5-4-9(6-12)13-2;2-1-3/h7,9H,3-6H2,1-2H3;/t9-;/m1./s1.
What are the key properties of carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole?
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 256.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 161487034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).