1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H10Cl2N2OS — CID 116609921

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2cc(Cl)c(N)c(Cl)c2)cs1
InChIInChI=1S/C12H10Cl2N2OS/c1-6-16-8(5-18-6)4-11(17)7-2-9(13)12(15)10(14)3-7/h2-3,5H,4,15H2,1H3
InChIKeyJVWNIMPWAQMASL-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.77
Rot. Bonds3

About 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 116609921) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID116609921
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2cc(Cl)c(N)c(Cl)c2)cs1
InChIInChI=1S/C12H10Cl2N2OS/c1-6-16-8(5-18-6)4-11(17)7-2-9(13)12(15)10(14)3-7/h2-3,5H,4,15H2,1H3
InChIKeyJVWNIMPWAQMASL-UHFFFAOYSA-N
XLogP3.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116548654
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
1-(4-amino-3,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116609986
1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979460
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 106754677
(2,4,6-trichlorophenyl) 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55335110
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979375
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 65317065
6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55041466
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
(2-methyl-1,3-thiazol-4-yl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720421

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 116609921) is 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)c2cc(Cl)c(N)c(Cl)c2)cs1.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is JVWNIMPWAQMASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-6-16-8(5-18-6)4-11(17)7-2-9(13)12(15)10(14)3-7/h2-3,5H,4,15H2,1H3.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 301.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 116609921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).