3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one

C19H14ClN3O2S — CID 1310166

IUPAC3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one
SMILESCc1ccc(Nc2nc(O)c(C3=c4cccc(C)c4=NC3=O)s2)cc1Cl
InChIInChI=1S/C19H14ClN3O2S/c1-9-6-7-11(8-13(9)20)21-19-23-18(25)16(26-19)14-12-5-3-4-10(2)15(12)22-17(14)24/h3-8,25H,1-2H3,(H,21,23)
InChIKeyOMSBQRVKGPWWFQ-UHFFFAOYSA-N
MW383.86 g/mol
LogP3.22
Rot. Bonds3

About 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one

3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one (PubChem CID 1310166) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one.

Molecular Properties

Compound Name3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one
PubChem CID1310166
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one
SMILESCc1ccc(Nc2nc(O)c(C3=c4cccc(C)c4=NC3=O)s2)cc1Cl
InChIInChI=1S/C19H14ClN3O2S/c1-9-6-7-11(8-13(9)20)21-19-23-18(25)16(26-19)14-12-5-3-4-10(2)15(12)22-17(14)24/h3-8,25H,1-2H3,(H,21,23)
InChIKeyOMSBQRVKGPWWFQ-UHFFFAOYSA-N
XLogP3.22
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
3-[2-(4-bromoanilino)-4-hydroxy-1,3-thiazol-5-yl]-6-chloro-7-methylindol-2-one
CID 1222309
5-chloro-3-[2-(4-chloroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 135648709
3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
CID 4761848
3-(2-amino-4-hydroxy-1,3-thiazol-5-yl)-6-chloro-7-methylindol-2-one
CID 1219114
methyl 2-hydroxy-5-[[4-hydroxy-5-(5-methoxy-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 155810758
2-[2-(3-chloro-4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1001993
3-[2-(3-chloro-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94777032
5-bromo-3-[2-(2,4-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
CID 1408886
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-2-oxo-5-(2-oxoindol-3-yl)-1,3-thiazol-3-yl]acetamide
CID 137140854
N-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126047012
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one?
The IUPAC name of 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one (CID 1310166) is 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one.
What is the SMILES notation for 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one?
The canonical SMILES for 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one is Cc1ccc(Nc2nc(O)c(C3=c4cccc(C)c4=NC3=O)s2)cc1Cl.
What is the InChIKey of 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one?
The InChIKey is OMSBQRVKGPWWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-9-6-7-11(8-13(9)20)21-19-23-18(25)16(26-19)14-12-5-3-4-10(2)15(12)22-17(14)24/h3-8,25H,1-2H3,(H,21,23).
What are the key properties of 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one?
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one has a molecular weight of 383.86 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-7-methylindol-2-one is sourced from PubChem (CID 1310166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).