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

C19H23N3O2S — CID 78772916

IUPAC(E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1
InChIInChI=1S/C19H23N3O2S/c1-3-22-12-11-16-17(13-22)25-19(20-16)21-18(23)10-7-14-5-8-15(9-6-14)24-4-2/h5-10H,3-4,11-13H2,1-2H3,(H,20,21,23)/b10-7+
InChIKeyUBTLXYISQPFQQJ-JXMROGBWSA-N
MW357.48 g/mol
LogP3.57
Rot. Bonds6

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

(E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide (PubChem CID 78772916) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
PubChem CID78772916
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1
InChIInChI=1S/C19H23N3O2S/c1-3-22-12-11-16-17(13-22)25-19(20-16)21-18(23)10-7-14-5-8-15(9-6-14)24-4-2/h5-10H,3-4,11-13H2,1-2H3,(H,20,21,23)/b10-7+
InChIKeyUBTLXYISQPFQQJ-JXMROGBWSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 84559893
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
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 78772933
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propoxybenzamide
CID 2536195
4-ethoxy-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44976323
(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
4-ethoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827009
3-[4-[(4-methylphenyl)methoxy]phenyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 5077526
3-(3,4-diethoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 3568930
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
methyl 4-[(E)-3-[[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]-3-oxoprop-1-enyl]benzoate
CID 108725511

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
The IUPAC name of (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) is (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
The InChIKey is UBTLXYISQPFQQJ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-22-12-11-16-17(13-22)25-19(20-16)21-18(23)10-7-14-5-8-15(9-6-14)24-4-2/h5-10H,3-4,11-13H2,1-2H3,(H,20,21,23)/b10-7+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide has a molecular weight of 357.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide is sourced from PubChem (CID 78772916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).