ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide

C37H70N4O6S2 — CID 143354725

IUPACethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide
SMILESCC.CC.CCCCC/C=C\C(C)C(C)NC=O.COC(CN1Cc2sccc2S1)C(C)(C)C.C[C@@H]1CCCN1C(=O)CNC=O.O=CO
InChIInChI=1S/C12H19NOS2.C12H23NO.C8H14N2O2.2C2H6.CH2O2/c1-12(2,3)11(14-4)8-13-7-10-9(16-13)5-6-15-10;1-4-5-6-7-8-9-11(2)12(3)13-10-14;1-7-3-2-4-10(7)8(12)5-9-6-11;2*1-2;2-1-3/h5-6,11H,7-8H2,1-4H3;8-12H,4-7H2,1-3H3,(H,13,14);6-7H,2-5H2,1H3,(H,9,11);2*1-2H3;1H,(H,2,3)/b;9-8-;;;;/t;;7-;;;/m..1.../s1
InChIKeyJRMOXRWAHWJFOD-GXVWLVGNSA-N
MW731.12 g/mol
LogP8.02
Rot. Bonds14

About ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide

ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide (PubChem CID 143354725) has the molecular formula C37H70N4O6S2 and a molecular weight of 731.12 g/mol. Its IUPAC name is ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide.

Molecular Properties

Compound Nameethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide
PubChem CID143354725
Molecular FormulaC37H70N4O6S2
Molecular Weight731.12 g/mol
Exact Mass730.47
IUPAC Nameethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide
SMILESCC.CC.CCCCC/C=C\C(C)C(C)NC=O.COC(CN1Cc2sccc2S1)C(C)(C)C.C[C@@H]1CCCN1C(=O)CNC=O.O=CO
InChIInChI=1S/C12H19NOS2.C12H23NO.C8H14N2O2.2C2H6.CH2O2/c1-12(2,3)11(14-4)8-13-7-10-9(16-13)5-6-15-10;1-4-5-6-7-8-9-11(2)12(3)13-10-14;1-7-3-2-4-10(7)8(12)5-9-6-11;2*1-2;2-1-3/h5-6,11H,7-8H2,1-4H3;8-12H,4-7H2,1-3H3,(H,13,14);6-7H,2-5H2,1H3,(H,9,11);2*1-2H3;1H,(H,2,3)/b;9-8-;;;;/t;;7-;;;/m..1.../s1
InChIKeyJRMOXRWAHWJFOD-GXVWLVGNSA-N
XLogP8.02
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.12
LogP ≤ 58.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide with MolForge

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Related Compounds

acetic acid;ethane;1-[1-[ethylsulfanyl(methyl)amino]-3,3-dimethylbutan-2-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]urea;N-[(Z)-3-methyldec-4-en-2-yl]formamide
CID 143056062
2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;(Z)-2-formamidonon-3-enethioic S-acid
CID 143625603
acetylene;ethane;formaldehyde;hept-1-ene;N-[2-[2-[(1S)-1-methoxyethyl]pyrrolidin-1-yl]-2-oxoethyl]formamide;2-methoxy-2-methylpropane
CID 143895757
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;(Z)-2-formamido-3-methyldec-4-enoic acid;methane;(5E,6E)-5-prop-2-enylidene-6-propylidenepiperazine-2,3-dione
CID 143602471
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
(Z)-2-[[(2S)-1-[2-[[1-(4-fluorophenyl)-4-methyl-2-oxopentan-3-yl]oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methyldec-4-enoic acid
CID 143056157
butane;2-formamido-N-[2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]acetamide;1-methoxy-3-methylindole;N-methylhexanamide
CID 145401551
(1R)-1-[[(2S)-1-[2-[[1-(1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]acetyl]pyrrolidine-2-carbonyl]amino]-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 70316769
3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid
CID 143356443
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane
CID 145398946
acetylene;aminomethanol;2-[(6-methoxy-3-pyridinyl)amino]-1-(2-methylpyrrolidin-1-yl)ethanone;pentane
CID 143895737

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide?
The IUPAC name of ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide (CID 143354725) is ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide.
What is the SMILES notation for ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide?
The canonical SMILES for ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide is CC.CC.CCCCC/C=C\C(C)C(C)NC=O.COC(CN1Cc2sccc2S1)C(C)(C)C.C[C@@H]1CCCN1C(=O)CNC=O.O=CO.
What is the InChIKey of ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide?
The InChIKey is JRMOXRWAHWJFOD-GXVWLVGNSA-N. The full InChI is InChI=1S/C12H19NOS2.C12H23NO.C8H14N2O2.2C2H6.CH2O2/c1-12(2,3)11(14-4)8-13-7-10-9(16-13)5-6-15-10;1-4-5-6-7-8-9-11(2)12(3)13-10-14;1-7-3-2-4-10(7)8(12)5-9-6-11;2*1-2;2-1-3/h5-6,11H,7-8H2,1-4H3;8-12H,4-7H2,1-3H3,(H,13,14);6-7H,2-5H2,1H3,(H,9,11);2*1-2H3;1H,(H,2,3)/b;9-8-;;;;/t;;7-;;;/m..1.../s1.
What are the key properties of ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide?
ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide has a molecular weight of 731.12 g/mol, XLogP of 8.02, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;2-(2-methoxy-3,3-dimethylbutyl)-3H-thieno[2,3-d][1,2]thiazole;N-[(Z)-3-methyldec-4-en-2-yl]formamide;N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]formamide is sourced from PubChem (CID 143354725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).