1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one

C19H15N3O3S — CID 159323023

IUPAC1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
SMILESCC(=O)Cc1cccc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)c1
InChIInChI=1S/C19H15N3O3S/c1-12(23)7-13-3-2-4-14(8-13)15-5-6-17-16(9-15)11-20-22(17)19-10-18(24)21-26(19)25/h2-6,8-11H,7H2,1H3,(H,21,24)
InChIKeyWVTFJBSQSLUHAN-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.43
Rot. Bonds4

About 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one

1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one (PubChem CID 159323023) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
PubChem CID159323023
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
SMILESCC(=O)Cc1cccc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)c1
InChIInChI=1S/C19H15N3O3S/c1-12(23)7-13-3-2-4-14(8-13)15-5-6-17-16(9-15)11-20-22(17)19-10-18(24)21-26(19)25/h2-6,8-11H,7H2,1H3,(H,21,24)
InChIKeyWVTFJBSQSLUHAN-UHFFFAOYSA-N
XLogP2.43
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960539
1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
CID 140960313
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960421
5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960505
5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960429
5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960413
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960349
5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960441
5-[4-(3-bromophenyl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960229
2-(3-indazol-1-ylphenyl)acetic acid
CID 82513907
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960328

Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one (CID 159323023) is 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one is CC(=O)Cc1cccc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)c1.
What is the InChIKey of 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one?
The InChIKey is WVTFJBSQSLUHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-12(23)7-13-3-2-4-14(8-13)15-5-6-17-16(9-15)11-20-22(17)19-10-18(24)21-26(19)25/h2-6,8-11H,7H2,1H3,(H,21,24).
What are the key properties of 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one?
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 365.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 159323023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).