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

C15H16IN3O2S — CID 78772949

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESCCN1CCc2nc(NC(=O)C=Cc3ccc(I)o3)sc2C1
InChIInChI=1S/C15H16IN3O2S/c1-2-19-8-7-11-12(9-19)22-15(17-11)18-14(20)6-4-10-3-5-13(16)21-10/h3-6H,2,7-9H2,1H3,(H,17,18,20)
InChIKeyPYKXNMPPSVEGGQ-UHFFFAOYSA-N
MW429.28 g/mol
LogP3.37
Rot. Bonds4

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

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide (PubChem CID 78772949) has the molecular formula C15H16IN3O2S and a molecular weight of 429.28 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
PubChem CID78772949
Molecular FormulaC15H16IN3O2S
Molecular Weight429.28 g/mol
Exact Mass429.00
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
SMILESCCN1CCc2nc(NC(=O)C=Cc3ccc(I)o3)sc2C1
InChIInChI=1S/C15H16IN3O2S/c1-2-19-8-7-11-12(9-19)22-15(17-11)18-14(20)6-4-10-3-5-13(16)21-10/h3-6H,2,7-9H2,1H3,(H,17,18,20)
InChIKeyPYKXNMPPSVEGGQ-UHFFFAOYSA-N
XLogP3.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylprop-2-enamide
CID 44975887
(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)-3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)prop-2-enamide
CID 26158066
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-ethylsulfonylbenzamide
CID 26841185
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpropanamide
CID 120594561
(2R)-2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 119828537
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
(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-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 3276839
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 29413371
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide?
The IUPAC name of 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) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide is CCN1CCc2nc(NC(=O)C=Cc3ccc(I)o3)sc2C1.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide?
The InChIKey is PYKXNMPPSVEGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O2S/c1-2-19-8-7-11-12(9-19)22-15(17-11)18-14(20)6-4-10-3-5-13(16)21-10/h3-6H,2,7-9H2,1H3,(H,17,18,20).
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide has a molecular weight of 429.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 78772949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).