(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide

C21H19N5O2S — CID 108843033

IUPAC(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide
SMILESCN1CCc2nc(N/C=C(/C#N)C(=O)Nc3cccc4c(O)cccc34)sc2C1
InChIInChI=1S/C21H19N5O2S/c1-26-9-8-17-19(12-26)29-21(25-17)23-11-13(10-22)20(28)24-16-6-2-5-15-14(16)4-3-7-18(15)27/h2-7,11,27H,8-9,12H2,1H3,(H,23,25)(H,24,28)/b13-11-
InChIKeySUEWQZYXWRJMEZ-QBFSEMIESA-N
MW405.48 g/mol
LogP3.45
Rot. Bonds4

About (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide

(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide (PubChem CID 108843033) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide
PubChem CID108843033
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide
SMILESCN1CCc2nc(N/C=C(/C#N)C(=O)Nc3cccc4c(O)cccc34)sc2C1
InChIInChI=1S/C21H19N5O2S/c1-26-9-8-17-19(12-26)29-21(25-17)23-11-13(10-22)20(28)24-16-6-2-5-15-14(16)4-3-7-18(15)27/h2-7,11,27H,8-9,12H2,1H3,(H,23,25)(H,24,28)/b13-11-
InChIKeySUEWQZYXWRJMEZ-QBFSEMIESA-N
XLogP3.45
TPSA101.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide with MolForge

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Related Compounds

(Z)-N-(2-chlorophenyl)-2-cyano-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide
CID 108824479
(Z)-2-cyano-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108822989
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide
CID 108850116
ethyl 4-[[(Z)-2-cyano-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enoyl]amino]benzoate
CID 108824108
(Z)-N-(2-chloroethyl)-2-cyano-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide
CID 108854582
(Z)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile
CID 108831918
(Z)-2-cyano-N-methyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838608
(Z)-2-cyano-3-(3,5-dimethylanilino)-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843063
3-[[(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxoprop-1-enyl]amino]benzoic acid
CID 108842806
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843121
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-piperazin-1-ylprop-2-enamide
CID 108842816

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide (CID 108843033) is (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide is CN1CCc2nc(N/C=C(/C#N)C(=O)Nc3cccc4c(O)cccc34)sc2C1.
What is the InChIKey of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide?
The InChIKey is SUEWQZYXWRJMEZ-QBFSEMIESA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-26-9-8-17-19(12-26)29-21(25-17)23-11-13(10-22)20(28)24-16-6-2-5-15-14(16)4-3-7-18(15)27/h2-7,11,27H,8-9,12H2,1H3,(H,23,25)(H,24,28)/b13-11-.
What are the key properties of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide?
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide has a molecular weight of 405.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]prop-2-enamide is sourced from PubChem (CID 108843033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).