methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate

C10H14N2O2S — CID 9075082

IUPACmethyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1cc(C)sc1C
InChIInChI=1S/C10H14N2O2S/c1-6-5-9(8(3)15-6)7(2)11-12-10(13)14-4/h5H,1-4H3,(H,12,13)/b11-7-
InChIKeyYGILXVABSVHFBK-XFFZJAGNSA-N
MW226.30 g/mol
LogP2.44
Rot. Bonds2

About methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate

methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate (PubChem CID 9075082) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
PubChem CID9075082
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1cc(C)sc1C
InChIInChI=1S/C10H14N2O2S/c1-6-5-9(8(3)15-6)7(2)11-12-10(13)14-4/h5H,1-4H3,(H,12,13)/b11-7-
InChIKeyYGILXVABSVHFBK-XFFZJAGNSA-N
XLogP2.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate (CID 9075082) is methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate is COC(=O)N/N=C(/C)c1cc(C)sc1C.
What is the InChIKey of methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate?
The InChIKey is YGILXVABSVHFBK-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-5-9(8(3)15-6)7(2)11-12-10(13)14-4/h5H,1-4H3,(H,12,13)/b11-7-.
What are the key properties of methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate?
methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate has a molecular weight of 226.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate is sourced from PubChem (CID 9075082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).