1,3-oxazolidine-3-carbothioamide

C4H8N2OS — CID 57154446

IUPAC1,3-oxazolidine-3-carbothioamide
SMILESNC(=S)N1CCOC1
InChIInChI=1S/C4H8N2OS/c5-4(8)6-1-2-7-3-6/h1-3H2,(H2,5,8)
InChIKeyLLUVGLVHMJYWLU-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.48
Rot. Bonds

About 1,3-oxazolidine-3-carbothioamide

1,3-oxazolidine-3-carbothioamide (PubChem CID 57154446) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 1,3-oxazolidine-3-carbothioamide.

Molecular Properties

Compound Name1,3-oxazolidine-3-carbothioamide
PubChem CID57154446
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name1,3-oxazolidine-3-carbothioamide
SMILESNC(=S)N1CCOC1
InChIInChI=1S/C4H8N2OS/c5-4(8)6-1-2-7-3-6/h1-3H2,(H2,5,8)
InChIKeyLLUVGLVHMJYWLU-UHFFFAOYSA-N
XLogP-0.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(1,3-oxazolidine-3-carbodithioate)
CID 21453977
CID 177489628
CID 177489628
aziridine-1-carbothioamide
CID 14475557
1,3-oxazolidine-3-carbodithioate;triethylazanium
CID 22766674
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
ethane;1-morpholin-4-ylethanethione
CID 142226083
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
methyl morpholine-4-carboximidothioate;morpholine-4-carbothioamide;oxolane
CID 162002519
(2E)-3-amino-5-methyl-1-morpholin-4-ylhexa-2,4-diene-1-thione
CID 45118722
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103
methyl morpholine-4-carbodithioate
CID 5043631

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-3-carbothioamide?
The IUPAC name of 1,3-oxazolidine-3-carbothioamide (CID 57154446) is 1,3-oxazolidine-3-carbothioamide.
What is the SMILES notation for 1,3-oxazolidine-3-carbothioamide?
The canonical SMILES for 1,3-oxazolidine-3-carbothioamide is NC(=S)N1CCOC1.
What is the InChIKey of 1,3-oxazolidine-3-carbothioamide?
The InChIKey is LLUVGLVHMJYWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c5-4(8)6-1-2-7-3-6/h1-3H2,(H2,5,8).
What are the key properties of 1,3-oxazolidine-3-carbothioamide?
1,3-oxazolidine-3-carbothioamide has a molecular weight of 132.19 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-3-carbothioamide is sourced from PubChem (CID 57154446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).