4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide

C10H11IN2O2S2 — CID 79693855

IUPAC4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)c2csc(I)c2)CCO1
InChIInChI=1S/C10H11IN2O2S2/c11-8-3-6(5-17-8)10(14)13-1-2-15-7(4-13)9(12)16/h3,5,7H,1-2,4H2,(H2,12,16)
InChIKeyLXQNBBDKHOUBJF-UHFFFAOYSA-N
MW382.25 g/mol
LogP1.48
Rot. Bonds2

About 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide

4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide (PubChem CID 79693855) has the molecular formula C10H11IN2O2S2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide
PubChem CID79693855
Molecular FormulaC10H11IN2O2S2
Molecular Weight382.25 g/mol
Exact Mass381.93
IUPAC Name4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)c2csc(I)c2)CCO1
InChIInChI=1S/C10H11IN2O2S2/c11-8-3-6(5-17-8)10(14)13-1-2-15-7(4-13)9(12)16/h3,5,7H,1-2,4H2,(H2,12,16)
InChIKeyLXQNBBDKHOUBJF-UHFFFAOYSA-N
XLogP1.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide
CID 79683526
4-(3,5-difluorobenzoyl)morpholine-2-carbothioamide
CID 79675366
4-(2-iodobenzoyl)morpholine-2-carbothioamide
CID 79674398
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide
CID 80644397
4-(3-bromobenzoyl)morpholine-2-carbothioamide
CID 79674488
4-(3-chloro-4-hydroxybenzoyl)morpholine-2-carbothioamide
CID 79674323
4-(3-bromo-4-chlorobenzoyl)morpholine-2-carbothioamide
CID 107999080
4-(2,4,6-trimethylbenzoyl)morpholine-2-carbothioamide
CID 79674045
4-(1,3-thiazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674305
4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674149
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide (CID 79693855) is 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide is NC(=S)C1CN(C(=O)c2csc(I)c2)CCO1.
What is the InChIKey of 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide?
The InChIKey is LXQNBBDKHOUBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2S2/c11-8-3-6(5-17-8)10(14)13-1-2-15-7(4-13)9(12)16/h3,5,7H,1-2,4H2,(H2,12,16).
What are the key properties of 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide?
4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide has a molecular weight of 382.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79693855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).