5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one

C16H15BrN2O2S — CID 135572103

IUPAC5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one
SMILESCC[C@@H](C)n1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)sc1=O
InChIInChI=1S/C16H15BrN2O2S/c1-3-9(2)19-15(20)14(22-16(19)21)6-10-8-18-13-5-4-11(17)7-12(10)13/h4-9,20H,3H2,1-2H3/b10-6+/t9-/m1/s1
InChIKeyVDDVDOPPSGASAN-ZFZMKPAXSA-N
MW379.28 g/mol
LogP4.61
Rot. Bonds3

About 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135572103) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID135572103
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one
SMILESCC[C@@H](C)n1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)sc1=O
InChIInChI=1S/C16H15BrN2O2S/c1-3-9(2)19-15(20)14(22-16(19)21)6-10-8-18-13-5-4-11(17)7-12(10)13/h4-9,20H,3H2,1-2H3/b10-6+/t9-/m1/s1
InChIKeyVDDVDOPPSGASAN-ZFZMKPAXSA-N
XLogP4.61
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 135440871
2-methylpropyl 2-[5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetate
CID 137117277
5-[(5-bromoindol-3-ylidene)methyl]-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1,3-thiazol-2-one
CID 137083607
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-(3-phenylpropyl)-1,3-thiazol-2-one
CID 137126952
5-[(5-bromoindol-3-ylidene)methyl]-3-(2,5-dimethylpyrrol-1-yl)-4-hydroxy-1,3-thiazole-2-thione
CID 137126657
5-[(5-bromoindol-3-ylidene)methyl]-3-(3,4-dimethylphenyl)-4-hydroxy-1,3-thiazole-2-thione
CID 137068619
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 137168006
propyl 5-[[2-[5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetyl]amino]-2-chlorobenzoate
CID 137126992
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-2-thione
CID 137126764
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
(2S)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoate
CID 135830604
5-[(E)-(5-bromoindol-3-ylidene)methyl]-2-morpholin-4-yl-1,3-thiazol-4-ol
CID 137274232

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one (CID 135572103) is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one is CC[C@@H](C)n1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)sc1=O.
What is the InChIKey of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is VDDVDOPPSGASAN-ZFZMKPAXSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-3-9(2)19-15(20)14(22-16(19)21)6-10-8-18-13-5-4-11(17)7-12(10)13/h4-9,20H,3H2,1-2H3/b10-6+/t9-/m1/s1.
What are the key properties of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one?
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 379.28 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-[(2R)-butan-2-yl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135572103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).