4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide

C11H14N2O3S — CID 79674751

IUPAC4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide
SMILESCc1ccoc1C(=O)N1CCOC(C(N)=S)C1
InChIInChI=1S/C11H14N2O3S/c1-7-2-4-16-9(7)11(14)13-3-5-15-8(6-13)10(12)17/h2,4,8H,3,5-6H2,1H3,(H2,12,17)
InChIKeyZESFVLLLHFFBFI-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.72
Rot. Bonds2

About 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide

4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide (PubChem CID 79674751) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide
PubChem CID79674751
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide
SMILESCc1ccoc1C(=O)N1CCOC(C(N)=S)C1
InChIInChI=1S/C11H14N2O3S/c1-7-2-4-16-9(7)11(14)13-3-5-15-8(6-13)10(12)17/h2,4,8H,3,5-6H2,1H3,(H2,12,17)
InChIKeyZESFVLLLHFFBFI-UHFFFAOYSA-N
XLogP0.72
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(2,4,6-trimethylbenzoyl)morpholine-2-carbothioamide
CID 79674045
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097
(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124610786
4-(2-iodobenzoyl)morpholine-2-carbothioamide
CID 79674398
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
4-(2,5-dimethylpyrazole-3-carbonyl)morpholine-2-carbothioamide
CID 79674499
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
4-(3,5-difluorobenzoyl)morpholine-2-carbothioamide
CID 79675366
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
4-(2-fluoro-6-hydroxybenzoyl)morpholine-2-carbothioamide
CID 107014952
4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674149

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide (CID 79674751) is 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide is Cc1ccoc1C(=O)N1CCOC(C(N)=S)C1.
What is the InChIKey of 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide?
The InChIKey is ZESFVLLLHFFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-2-4-16-9(7)11(14)13-3-5-15-8(6-13)10(12)17/h2,4,8H,3,5-6H2,1H3,(H2,12,17).
What are the key properties of 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide?
4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide has a molecular weight of 254.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79674751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).