3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide

C14H12Cl2N2OS — CID 897437

IUPAC3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1nc(NC(=O)C=Cc2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C14H12Cl2N2OS/c1-8-9(2)20-14(17-8)18-13(19)7-6-10-11(15)4-3-5-12(10)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyXSICRZZBBFYYMF-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.72
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide

3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 897437) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID897437
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1nc(NC(=O)C=Cc2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C14H12Cl2N2OS/c1-8-9(2)20-14(17-8)18-13(19)7-6-10-11(15)4-3-5-12(10)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyXSICRZZBBFYYMF-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4113800
methyl 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6016952
ethyl 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1192974
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 896647
N-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 732578
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 8797787
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4518402
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 18084528
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 18198247
3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 3453085
3-(2-chloro-6-fluorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4054409

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide (CID 897437) is 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1nc(NC(=O)C=Cc2c(Cl)cccc2Cl)sc1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is XSICRZZBBFYYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-8-9(2)20-14(17-8)18-13(19)7-6-10-11(15)4-3-5-12(10)16/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide?
3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 327.24 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 897437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).