(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

C17H16ClN5OS — CID 108824479

IUPAC(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
SMILESCN1CCc2nc(N/C=C(/C#N)C(=O)Nc3ccccc3Cl)sc2C1
InChIInChI=1S/C17H16ClN5OS/c1-23-7-6-14-15(10-23)25-17(22-14)20-9-11(8-19)16(24)21-13-5-3-2-4-12(13)18/h2-5,9H,6-7,10H2,1H3,(H,20,22)(H,21,24)/b11-9-
InChIKeyJBUZDYLINJFKFP-LUAWRHEFSA-N
MW373.87 g/mol
LogP3.24
Rot. Bonds4

About (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

(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 (PubChem CID 108824479) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID108824479
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name(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
SMILESCN1CCc2nc(N/C=C(/C#N)C(=O)Nc3ccccc3Cl)sc2C1
InChIInChI=1S/C17H16ClN5OS/c1-23-7-6-14-15(10-23)25-17(22-14)20-9-11(8-19)16(24)21-13-5-3-2-4-12(13)18/h2-5,9H,6-7,10H2,1H3,(H,20,22)(H,21,24)/b11-9-
InChIKeyJBUZDYLINJFKFP-LUAWRHEFSA-N
XLogP3.24
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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)-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
(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
(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
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)-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
N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108520447
(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
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
2-[[(Z)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108824482
(Z)-N-(2-chlorophenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108824467
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1CCc2nc(N/C=C(/C#N)C(=O)Nc3ccccc3Cl)sc2C1.
What is the InChIKey of (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?
The InChIKey is JBUZDYLINJFKFP-LUAWRHEFSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-23-7-6-14-15(10-23)25-17(22-14)20-9-11(8-19)16(24)21-13-5-3-2-4-12(13)18/h2-5,9H,6-7,10H2,1H3,(H,20,22)(H,21,24)/b11-9-.
What are the key properties of (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?
(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 has a molecular weight of 373.87 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 108824479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).