3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

C16H10Cl2N2OS2 — CID 3453085

IUPAC3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)cccc1Cl)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H10Cl2N2OS2/c17-11-3-1-4-12(18)10(11)6-7-15(21)20-16-19-13(9-23-16)14-5-2-8-22-14/h1-9H,(H,19,20,21)
InChIKeyAQKFDCUPXCNJMP-UHFFFAOYSA-N
MW381.31 g/mol
LogP5.83
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 3453085) has the molecular formula C16H10Cl2N2OS2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID3453085
Molecular FormulaC16H10Cl2N2OS2
Molecular Weight381.31 g/mol
Exact Mass379.96
IUPAC Name3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1c(Cl)cccc1Cl)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C16H10Cl2N2OS2/c17-11-3-1-4-12(18)10(11)6-7-15(21)20-16-19-13(9-23-16)14-5-2-8-22-14/h1-9H,(H,19,20,21)
InChIKeyAQKFDCUPXCNJMP-UHFFFAOYSA-N
XLogP5.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 84560255
(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 108764615
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6108158
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 29176160
N-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 732578
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774
3-(2-chloro-6-fluorophenyl)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 4152895
3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 897437
3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4172401
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 3453085) is 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is O=C(C=Cc1c(Cl)cccc1Cl)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is AQKFDCUPXCNJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS2/c17-11-3-1-4-12(18)10(11)6-7-15(21)20-16-19-13(9-23-16)14-5-2-8-22-14/h1-9H,(H,19,20,21).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 381.31 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 3453085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).