5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione

C11H11NOS — CID 102155005

IUPAC5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione
SMILESC=C1C(C)OC(=S)N1c1ccccc1
InChIInChI=1S/C11H11NOS/c1-8-9(2)13-11(14)12(8)10-6-4-3-5-7-10/h3-7,9H,1H2,2H3
InChIKeySIGVCDHUPZOMRZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.71
Rot. Bonds1

About 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione

5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione (PubChem CID 102155005) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione
PubChem CID102155005
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione
SMILESC=C1C(C)OC(=S)N1c1ccccc1
InChIInChI=1S/C11H11NOS/c1-8-9(2)13-11(14)12(8)10-6-4-3-5-7-10/h3-7,9H,1H2,2H3
InChIKeySIGVCDHUPZOMRZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
CID 102474036
2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid
CID 19011138
(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
(5R)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853800
3,6-dimethyl-11-phenyl-6H-benzo[b][4,1]benzoxazepine
CID 129207744
(3aS,7aR)-3-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-2-thione
CID 11831342
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
3,3-dimethyl-1-phenylindole-2-thione
CID 14113261
5-phenyl-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 11536215
5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045960
5-(dimethylaminomethylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3648464
2-(6-methylcyclohexa-2,4-dien-1-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 144729781

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione?
The IUPAC name of 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione (CID 102155005) is 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione is C=C1C(C)OC(=S)N1c1ccccc1.
What is the InChIKey of 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione?
The InChIKey is SIGVCDHUPZOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-9(2)13-11(14)12(8)10-6-4-3-5-7-10/h3-7,9H,1H2,2H3.
What are the key properties of 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione?
5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione has a molecular weight of 205.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-3-phenyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 102155005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).