(2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone

C14H15NO2S — CID 88768420

IUPAC(2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone
SMILESCCOC1=C(N)S(=C=O)C(c2ccccc2)=C1C
InChIInChI=1S/C14H15NO2S/c1-3-17-12-10(2)13(18(9-16)14(12)15)11-7-5-4-6-8-11/h4-8H,3,15H2,1-2H3
InChIKeyDMRTWFHIZVNOSK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.93
Rot. Bonds3

About (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone

(2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone (PubChem CID 88768420) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone.

Molecular Properties

Compound Name(2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone
PubChem CID88768420
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone
SMILESCCOC1=C(N)S(=C=O)C(c2ccccc2)=C1C
InChIInChI=1S/C14H15NO2S/c1-3-17-12-10(2)13(18(9-16)14(12)15)11-7-5-4-6-8-11/h4-8H,3,15H2,1-2H3
InChIKeyDMRTWFHIZVNOSK-UHFFFAOYSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone?
The IUPAC name of (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone (CID 88768420) is (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone.
What is the SMILES notation for (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone?
The canonical SMILES for (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone is CCOC1=C(N)S(=C=O)C(c2ccccc2)=C1C.
What is the InChIKey of (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone?
The InChIKey is DMRTWFHIZVNOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-17-12-10(2)13(18(9-16)14(12)15)11-7-5-4-6-8-11/h4-8H,3,15H2,1-2H3.
What are the key properties of (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone?
(2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone has a molecular weight of 261.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-ethoxy-4-methyl-5-phenylthiophen-1-ylidene)methanone is sourced from PubChem (CID 88768420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).