bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone

C21H18N4OS2 — CID 87664196

IUPACbis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(Nc2ccccc2)sc1C(=O)c1sc(Nc2ccccc2)nc1C
InChIInChI=1S/C21H18N4OS2/c1-13-18(27-20(22-13)24-15-9-5-3-6-10-15)17(26)19-14(2)23-21(28-19)25-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyKDYQWNNQCGZOSQ-UHFFFAOYSA-N
MW406.54 g/mol
LogP5.93
Rot. Bonds6

About bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone

bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 87664196) has the molecular formula C21H18N4OS2 and a molecular weight of 406.54 g/mol. Its IUPAC name is bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Namebis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID87664196
Molecular FormulaC21H18N4OS2
Molecular Weight406.54 g/mol
Exact Mass406.09
IUPAC Namebis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(Nc2ccccc2)sc1C(=O)c1sc(Nc2ccccc2)nc1C
InChIInChI=1S/C21H18N4OS2/c1-13-18(27-20(22-13)24-15-9-5-3-6-10-15)17(26)19-14(2)23-21(28-19)25-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyKDYQWNNQCGZOSQ-UHFFFAOYSA-N
XLogP5.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.54
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
(2-anilino-4-methyl-1,3-thiazol-5-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 2814833
(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-chloro-3-nitrophenyl)methanone
CID 13151122
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420

Frequently Asked Questions

What is the IUPAC name of bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone (CID 87664196) is bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone is Cc1nc(Nc2ccccc2)sc1C(=O)c1sc(Nc2ccccc2)nc1C.
What is the InChIKey of bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is KDYQWNNQCGZOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS2/c1-13-18(27-20(22-13)24-15-9-5-3-6-10-15)17(26)19-14(2)23-21(28-19)25-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone?
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 406.54 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 87664196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).