(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

C18H16F3N5OS — CID 108822989

IUPAC(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
SMILESCN1CCc2nc(N/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)sc2C1
InChIInChI=1S/C18H16F3N5OS/c1-26-7-6-14-15(10-26)28-17(25-14)23-9-11(8-22)16(27)24-13-5-3-2-4-12(13)18(19,20)21/h2-5,9H,6-7,10H2,1H3,(H,23,25)(H,24,27)/b11-9-
InChIKeyCKTGLDJAIKCTQX-LUAWRHEFSA-N
MW407.42 g/mol
LogP3.61
Rot. Bonds4

About (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

(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 (PubChem CID 108822989) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID108822989
Molecular FormulaC18H16F3N5OS
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name(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
SMILESCN1CCc2nc(N/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)sc2C1
InChIInChI=1S/C18H16F3N5OS/c1-26-7-6-14-15(10-26)28-17(25-14)23-9-11(8-22)16(27)24-13-5-3-2-4-12(13)18(19,20)21/h2-5,9H,6-7,10H2,1H3,(H,23,25)(H,24,27)/b11-9-
InChIKeyCKTGLDJAIKCTQX-LUAWRHEFSA-N
XLogP3.61
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.61
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)-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 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-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)-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)-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
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 71788268
2-[[(Z)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]amino]benzamide
CID 108822992
(Z)-3-(2-bromoanilino)-2-cyano-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108823036
(Z)-2-cyano-3-(4-iodoanilino)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 108823040

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1CCc2nc(N/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)sc2C1.
What is the InChIKey of (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?
The InChIKey is CKTGLDJAIKCTQX-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c1-26-7-6-14-15(10-26)28-17(25-14)23-9-11(8-22)16(27)24-13-5-3-2-4-12(13)18(19,20)21/h2-5,9H,6-7,10H2,1H3,(H,23,25)(H,24,27)/b11-9-.
What are the key properties of (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?
(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 has a molecular weight of 407.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 108822989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).