3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

C18H14N4O3S — CID 146023128

IUPAC3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nncs2)C1c1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C18H14N4O3S/c23-15(9-5-6-9)13-14(11-7-19-12-4-2-1-3-10(11)12)22(17(25)16(13)24)18-21-20-8-26-18/h1-4,7-9,14,19,24H,5-6H2
InChIKeyMXAIQRZBQKDKEG-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.90
Rot. Bonds4

About 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 146023128) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
PubChem CID146023128
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2nncs2)C1c1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C18H14N4O3S/c23-15(9-5-6-9)13-14(11-7-19-12-4-2-1-3-10(11)12)22(17(25)16(13)24)18-21-20-8-26-18/h1-4,7-9,14,19,24H,5-6H2
InChIKeyMXAIQRZBQKDKEG-UHFFFAOYSA-N
XLogP2.90
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-hydroxyphenyl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023109
2-(3-chlorophenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023134
3-(cyclopropanecarbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023087
2-(2-bicyclo[2.2.1]hept-5-enyl)-3-(cyclopropanecarbonyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023139
4-hydroxy-1-(2-hydroxyphenyl)-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108603727
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108646263
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108681050
4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108681051
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-phenyl-2H-pyrrol-5-one
CID 108646283
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108604336

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (CID 146023128) is 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2nncs2)C1c1c[nH]c2ccccc12)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is MXAIQRZBQKDKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-15(9-5-6-9)13-14(11-7-19-12-4-2-1-3-10(11)12)22(17(25)16(13)24)18-21-20-8-26-18/h1-4,7-9,14,19,24H,5-6H2.
What are the key properties of 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 366.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 146023128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).