5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid

C18H12ClN3O2S — CID 166161768

IUPAC5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)s3)c12
InChIInChI=1S/C18H12ClN3O2S/c19-13-6-12-8-21-22(16(12)15(7-13)18(23)24)10-14-9-20-17(25-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,24)
InChIKeyVLQDAXGEGZDLFA-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.56
Rot. Bonds4

About 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid

5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid (PubChem CID 166161768) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid
PubChem CID166161768
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC Name5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)s3)c12
InChIInChI=1S/C18H12ClN3O2S/c19-13-6-12-8-21-22(16(12)15(7-13)18(23)24)10-14-9-20-17(25-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,24)
InChIKeyVLQDAXGEGZDLFA-UHFFFAOYSA-N
XLogP4.56
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid?
The IUPAC name of 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid (CID 166161768) is 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid is O=C(O)c1cc(Cl)cc2cnn(Cc3cnc(-c4ccccc4)s3)c12.
What is the InChIKey of 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid?
The InChIKey is VLQDAXGEGZDLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-13-6-12-8-21-22(16(12)15(7-13)18(23)24)10-14-9-20-17(25-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,24).
What are the key properties of 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid?
5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid has a molecular weight of 369.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid is sourced from PubChem (CID 166161768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).