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

C13H11ClN4OS — CID 108860532

IUPAC(Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/NC1=NCCS1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4OS/c14-10-2-1-3-11(6-10)18-12(19)9(7-15)8-17-13-16-4-5-20-13/h1-3,6,8H,4-5H2,(H,16,17)(H,18,19)/b9-8-
InChIKeyLTOBAHXPDSSDAN-HJWRWDBZSA-N
MW306.78 g/mol
LogP2.38
Rot. Bonds3

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

(Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide (PubChem CID 108860532) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
PubChem CID108860532
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name(Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/NC1=NCCS1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4OS/c14-10-2-1-3-11(6-10)18-12(19)9(7-15)8-17-13-16-4-5-20-13/h1-3,6,8H,4-5H2,(H,16,17)(H,18,19)/b9-8-
InChIKeyLTOBAHXPDSSDAN-HJWRWDBZSA-N
XLogP2.38
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.38
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'}

Analyze (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide with MolForge

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Related Compounds

(Z)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108852367
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108818791
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855351
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-3-(2-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920704
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-hydroxyanilino)prop-2-enamide
CID 108860407
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(3-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108860570
(Z)-3-(3-chloro-4-fluoroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860528
(Z)-3-(2-bromoanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920712
N-(3-chlorophenyl)-2-cyano-3-(dimethylamino)prop-2-enamide
CID 3759138
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(5-methyl-1,2-oxazol-3-yl)amino]prop-2-enamide
CID 108860462

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide (CID 108860532) is (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide is N#C/C(=C/NC1=NCCS1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
The InChIKey is LTOBAHXPDSSDAN-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-10-2-1-3-11(6-10)18-12(19)9(7-15)8-17-13-16-4-5-20-13/h1-3,6,8H,4-5H2,(H,16,17)(H,18,19)/b9-8-.
What are the key properties of (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide?
(Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide has a molecular weight of 306.78 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chlorophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108860532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).