(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone

C17H12Cl2N2OS — CID 142932234

IUPAC(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone
SMILESCc1cccc(Nc2ncc(C(=O)c3c(Cl)cccc3Cl)s2)c1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-4-2-5-11(8-10)21-17-20-9-14(23-17)16(22)15-12(18)6-3-7-13(15)19/h2-9H,1H3,(H,20,21)
InChIKeyJAXBOVLTFQPCDK-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.73
Rot. Bonds4

About (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone

(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone (PubChem CID 142932234) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone
PubChem CID142932234
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone
SMILESCc1cccc(Nc2ncc(C(=O)c3c(Cl)cccc3Cl)s2)c1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-4-2-5-11(8-10)21-17-20-9-14(23-17)16(22)15-12(18)6-3-7-13(15)19/h2-9H,1H3,(H,20,21)
InChIKeyJAXBOVLTFQPCDK-UHFFFAOYSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332
(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
CID 1482526
2-(3,5-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571652
4-chloro-N-[[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 11397873
3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile
CID 10314778
(3-methyl-2-pyridinyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869547
N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide
CID 135354009
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869650
[2-[3-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;5-chlorothiophene-2-sulfonic acid
CID 174498850

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone (CID 142932234) is (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone is Cc1cccc(Nc2ncc(C(=O)c3c(Cl)cccc3Cl)s2)c1.
What is the InChIKey of (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone?
The InChIKey is JAXBOVLTFQPCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c1-10-4-2-5-11(8-10)21-17-20-9-14(23-17)16(22)15-12(18)6-3-7-13(15)19/h2-9H,1H3,(H,20,21).
What are the key properties of (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone?
(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone has a molecular weight of 363.27 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 142932234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).