(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide

C17H19N3OS — CID 44975887

IUPAC(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
SMILESCCN1CCc2nc(NC(=O)/C=C/c3ccccc3)sc2C1
InChIInChI=1S/C17H19N3OS/c1-2-20-11-10-14-15(12-20)22-17(18-14)19-16(21)9-8-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,18,19,21)/b9-8+
InChIKeySBDLTBRQOFYLOS-CMDGGOBGSA-N
MW313.43 g/mol
LogP3.17
Rot. Bonds4

About (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide

(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide (PubChem CID 44975887) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
PubChem CID44975887
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
SMILESCCN1CCc2nc(NC(=O)/C=C/c3ccccc3)sc2C1
InChIInChI=1S/C17H19N3OS/c1-2-20-11-10-14-15(12-20)22-17(18-14)19-16(21)9-8-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,18,19,21)/b9-8+
InChIKeySBDLTBRQOFYLOS-CMDGGOBGSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
CID 78772916
(E)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 2677829
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 78772949
(E)-N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 108749924
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpropanamide
CID 120594561
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
(3S)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylbutanamide
CID 29412489
6-ethyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3647152
methyl 6-ethyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4154998
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 78840788

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide (CID 44975887) is (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide is CCN1CCc2nc(NC(=O)/C=C/c3ccccc3)sc2C1.
What is the InChIKey of (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide?
The InChIKey is SBDLTBRQOFYLOS-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-20-11-10-14-15(12-20)22-17(18-14)19-16(21)9-8-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,18,19,21)/b9-8+.
What are the key properties of (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide?
(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide has a molecular weight of 313.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 44975887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).