(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide

C19H14N4OS2 — CID 108857108

IUPAC(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1nccs1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H14N4OS2/c20-12-14(13-22-19-21-10-11-25-19)18(24)23-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-11,13H,(H,21,22)(H,23,24)/b14-13-
InChIKeyNOXOUGHPXBJCFM-YPKPFQOOSA-N
MW378.48 g/mol
LogP4.75
Rot. Bonds6

About (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide

(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide (PubChem CID 108857108) has the molecular formula C19H14N4OS2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide
PubChem CID108857108
Molecular FormulaC19H14N4OS2
Molecular Weight378.48 g/mol
Exact Mass378.06
IUPAC Name(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1nccs1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H14N4OS2/c20-12-14(13-22-19-21-10-11-25-19)18(24)23-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-11,13H,(H,21,22)(H,23,24)/b14-13-
InChIKeyNOXOUGHPXBJCFM-YPKPFQOOSA-N
XLogP4.75
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.75
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'}

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Related Compounds

N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515122
(Z)-3-(2-bromoanilino)-2-cyano-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857240
1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732727
(Z)-2-cyano-3-(4-iodoanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857244
(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108857060
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857281
(Z)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857142
(Z)-2-cyano-3-(2-cyanoethylamino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857325
(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108857280
(Z)-2-cyano-3-(2-hydroxy-5-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857132
(Z)-2-cyano-N-(2-nitrophenyl)-3-(2-phenylsulfanylanilino)prop-2-enamide
CID 108816533
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-phenylsulfanylanilino)prop-2-enamide
CID 108849253

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide (CID 108857108) is (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide is N#C/C(=C/Nc1nccs1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
The InChIKey is NOXOUGHPXBJCFM-YPKPFQOOSA-N. The full InChI is InChI=1S/C19H14N4OS2/c20-12-14(13-22-19-21-10-11-25-19)18(24)23-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-11,13H,(H,21,22)(H,23,24)/b14-13-.
What are the key properties of (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide has a molecular weight of 378.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108857108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).