5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one

C18H12BrN3O3S — CID 1182679

IUPAC5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Nc2[nH]c(=O)sc2C2=c3cc(Br)ccc3=NC2=O)cc1
InChIInChI=1S/C18H12BrN3O3S/c1-25-11-5-3-10(4-6-11)20-16-15(26-18(24)22-16)14-12-8-9(19)2-7-13(12)21-17(14)23/h2-8,20H,1H3,(H,22,24)
InChIKeyMVVHLYOSHMAAPU-UHFFFAOYSA-N
MW430.28 g/mol
LogP2.31
Rot. Bonds4

About 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one

5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one (PubChem CID 1182679) has the molecular formula C18H12BrN3O3S and a molecular weight of 430.28 g/mol. Its IUPAC name is 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one
PubChem CID1182679
Molecular FormulaC18H12BrN3O3S
Molecular Weight430.28 g/mol
Exact Mass428.98
IUPAC Name5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Nc2[nH]c(=O)sc2C2=c3cc(Br)ccc3=NC2=O)cc1
InChIInChI=1S/C18H12BrN3O3S/c1-25-11-5-3-10(4-6-11)20-16-15(26-18(24)22-16)14-12-8-9(19)2-7-13(12)21-17(14)23/h2-8,20H,1H3,(H,22,24)
InChIKeyMVVHLYOSHMAAPU-UHFFFAOYSA-N
XLogP2.31
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1182675
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CID 1230233
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CID 1274063
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CID 600243
CID 600243
CID 1303831
CID 1303831
CID 129731398
CID 129731398
CID 135575326
CID 135575326
CID 135634110
CID 135634110
CID 136899527
CID 136899527
CID 137276848
CID 137276848
CID 1182673
CID 1182673
CID 1205946
CID 1205946

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one (CID 1182679) is 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one is COc1ccc(Nc2[nH]c(=O)sc2C2=c3cc(Br)ccc3=NC2=O)cc1.
What is the InChIKey of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one?
The InChIKey is MVVHLYOSHMAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O3S/c1-25-11-5-3-10(4-6-11)20-16-15(26-18(24)22-16)14-12-8-9(19)2-7-13(12)21-17(14)23/h2-8,20H,1H3,(H,22,24).
What are the key properties of 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one?
5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one has a molecular weight of 430.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-oxoindol-3-yl)-4-(4-methoxyanilino)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 1182679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).