3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C15H19N3OS — CID 4968583

IUPAC3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCC/N=c1\sc(C(=O)Nc2ccccc2)c(C)n1CC
InChIInChI=1S/C15H19N3OS/c1-4-16-15-18(5-2)11(3)13(20-15)14(19)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,17,19)/b16-15-
InChIKeyLHPRNNDRKOGVCJ-NXVVXOECSA-N
MW289.40 g/mol
LogP3.05
Rot. Bonds4

About 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 4968583) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID4968583
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCC/N=c1\sc(C(=O)Nc2ccccc2)c(C)n1CC
InChIInChI=1S/C15H19N3OS/c1-4-16-15-18(5-2)11(3)13(20-15)14(19)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,17,19)/b16-15-
InChIKeyLHPRNNDRKOGVCJ-NXVVXOECSA-N
XLogP3.05
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 4968583) is 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is CC/N=c1\sc(C(=O)Nc2ccccc2)c(C)n1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is LHPRNNDRKOGVCJ-NXVVXOECSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-16-15-18(5-2)11(3)13(20-15)14(19)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,17,19)/b16-15-.
What are the key properties of 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4968583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).