(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

C15H16N4O2S — CID 108858335

IUPAC(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(C#N)=C\NC1=NCCS1
InChIInChI=1S/C15H16N4O2S/c1-10-3-4-13(21-2)12(7-10)19-14(20)11(8-16)9-18-15-17-5-6-22-15/h3-4,7,9H,5-6H2,1-2H3,(H,17,18)(H,19,20)/b11-9-
InChIKeyZORYMBWJBJYBNK-LUAWRHEFSA-N
MW316.39 g/mol
LogP2.04
Rot. Bonds4

About (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 108858335) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID108858335
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(C#N)=C\NC1=NCCS1
InChIInChI=1S/C15H16N4O2S/c1-10-3-4-13(21-2)12(7-10)19-14(20)11(8-16)9-18-15-17-5-6-22-15/h3-4,7,9H,5-6H2,1-2H3,(H,17,18)(H,19,20)/b11-9-
InChIKeyZORYMBWJBJYBNK-LUAWRHEFSA-N
XLogP2.04
TPSA86.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.04
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

(Z)-2-cyano-3-(2,5-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858177
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855351
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108858097
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108858399
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
CID 108858434
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108818791
(Z)-2-cyano-3-(4-hydroxy-2-methylanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858158
(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108850428
(Z)-3-(4-chloro-2-methylanilino)-2-cyano-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858262
(Z)-3-(2-acetamidoethylamino)-2-cyano-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858345
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108858108
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858157

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 108858335) is (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1NC(=O)/C(C#N)=C\NC1=NCCS1.
What is the InChIKey of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is ZORYMBWJBJYBNK-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-3-4-13(21-2)12(7-10)19-14(20)11(8-16)9-18-15-17-5-6-22-15/h3-4,7,9H,5-6H2,1-2H3,(H,17,18)(H,19,20)/b11-9-.
What are the key properties of (Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 316.39 g/mol, XLogP of 2.04, 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-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108858335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).