[4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone

C25H19ClN4OS — CID 46193763

IUPAC[4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone
SMILESCc1ccc(Nc2nc(Nc3ccc(Cl)cc3)c(C(=O)c3c[nH]c4ccccc34)s2)cc1
InChIInChI=1S/C25H19ClN4OS/c1-15-6-10-18(11-7-15)29-25-30-24(28-17-12-8-16(26)9-13-17)23(32-25)22(31)20-14-27-21-5-3-2-4-19(20)21/h2-14,27-28H,1H3,(H,29,30)
InChIKeyVCMWWDUEGFBPIK-UHFFFAOYSA-N
MW458.97 g/mol
LogP7.30
Rot. Bonds6

About [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone

[4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone (PubChem CID 46193763) has the molecular formula C25H19ClN4OS and a molecular weight of 458.97 g/mol. Its IUPAC name is [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone
PubChem CID46193763
Molecular FormulaC25H19ClN4OS
Molecular Weight458.97 g/mol
Exact Mass458.10
IUPAC Name[4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone
SMILESCc1ccc(Nc2nc(Nc3ccc(Cl)cc3)c(C(=O)c3c[nH]c4ccccc34)s2)cc1
InChIInChI=1S/C25H19ClN4OS/c1-15-6-10-18(11-7-15)29-25-30-24(28-17-12-8-16(26)9-13-17)23(32-25)22(31)20-14-27-21-5-3-2-4-19(20)21/h2-14,27-28H,1H3,(H,29,30)
InChIKeyVCMWWDUEGFBPIK-UHFFFAOYSA-N
XLogP7.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 57.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone with MolForge

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Related Compounds

2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513912
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 46285705
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 134061924
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide
CID 3390781
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
CID 46285711

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone (CID 46193763) is [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone is Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)c(C(=O)c3c[nH]c4ccccc34)s2)cc1.
What is the InChIKey of [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone?
The InChIKey is VCMWWDUEGFBPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4OS/c1-15-6-10-18(11-7-15)29-25-30-24(28-17-12-8-16(26)9-13-17)23(32-25)22(31)20-14-27-21-5-3-2-4-19(20)21/h2-14,27-28H,1H3,(H,29,30).
What are the key properties of [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone?
[4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone has a molecular weight of 458.97 g/mol, XLogP of 7.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 46193763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).