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

C14H14N4OS — CID 108842319

IUPAC(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/NC1=NCCS1)C(=O)NCc1ccccc1
InChIInChI=1S/C14H14N4OS/c15-8-12(10-18-14-16-6-7-20-14)13(19)17-9-11-4-2-1-3-5-11/h1-5,10H,6-7,9H2,(H,16,18)(H,17,19)/b12-10-
InChIKeyCBXVTYGINBALPZ-BENRWUELSA-N
MW286.36 g/mol
LogP1.40
Rot. Bonds4

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

(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide (PubChem CID 108842319) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
PubChem CID108842319
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/NC1=NCCS1)C(=O)NCc1ccccc1
InChIInChI=1S/C14H14N4OS/c15-8-12(10-18-14-16-6-7-20-14)13(19)17-9-11-4-2-1-3-5-11/h1-5,10H,6-7,9H2,(H,16,18)(H,17,19)/b12-10-
InChIKeyCBXVTYGINBALPZ-BENRWUELSA-N
XLogP1.40
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855351
6-[[(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]amino]hexanoic acid
CID 108845290
(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide
CID 108842121
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108818791
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108860532
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848647
(Z)-N-benzyl-2-cyano-3-(2,6-dichloroanilino)prop-2-enamide
CID 108842349
(E)-3-(1,3-benzodioxol-5-ylamino)-N-benzyl-2-cyanoprop-2-enamide
CID 7459698
(Z)-N-benzyl-2-cyano-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108842178
(Z)-N-benzyl-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]prop-2-enamide
CID 108842160
(Z)-N-benzyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108842100

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide (CID 108842319) is (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide is N#C/C(=C/NC1=NCCS1)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The InChIKey is CBXVTYGINBALPZ-BENRWUELSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-8-12(10-18-14-16-6-7-20-14)13(19)17-9-11-4-2-1-3-5-11/h1-5,10H,6-7,9H2,(H,16,18)(H,17,19)/b12-10-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide has a molecular weight of 286.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108842319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).