2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide

C15H15N3OS — CID 62877198

IUPAC2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESCCc1nc(NC(=O)C(C#N)c2ccccc2)sc1C
InChIInChI=1S/C15H15N3OS/c1-3-13-10(2)20-15(17-13)18-14(19)12(9-16)11-7-5-4-6-8-11/h4-8,12H,3H2,1-2H3,(H,17,18,19)
InChIKeyFWTFPBZQRBKPSI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.26
Rot. Bonds4

About 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide

2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide (PubChem CID 62877198) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
PubChem CID62877198
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESCCc1nc(NC(=O)C(C#N)c2ccccc2)sc1C
InChIInChI=1S/C15H15N3OS/c1-3-13-10(2)20-15(17-13)18-14(19)12(9-16)11-7-5-4-6-8-11/h4-8,12H,3H2,1-2H3,(H,17,18,19)
InChIKeyFWTFPBZQRBKPSI-UHFFFAOYSA-N
XLogP3.26
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide (CID 62877198) is 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide is CCc1nc(NC(=O)C(C#N)c2ccccc2)sc1C.
What is the InChIKey of 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The InChIKey is FWTFPBZQRBKPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-13-10(2)20-15(17-13)18-14(19)12(9-16)11-7-5-4-6-8-11/h4-8,12H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide has a molecular weight of 285.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 62877198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).