2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid

C19H15N3O3S — CID 44611642

IUPAC2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOCc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1
InChIInChI=1S/C19H15N3O3S/c1-25-10-12-6-8-13(9-7-12)17-14-4-2-3-5-16(14)22(21-17)19-20-15(11-26-19)18(23)24/h2-9,11H,10H2,1H3,(H,23,24)
InChIKeyVCLWGMKURRHUCK-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.99
Rot. Bonds5

About 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 44611642) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID44611642
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOCc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1
InChIInChI=1S/C19H15N3O3S/c1-25-10-12-6-8-13(9-7-12)17-14-4-2-3-5-16(14)22(21-17)19-20-15(11-26-19)18(23)24/h2-9,11H,10H2,1H3,(H,23,24)
InChIKeyVCLWGMKURRHUCK-UHFFFAOYSA-N
XLogP3.99
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 44611642) is 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid is COCc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VCLWGMKURRHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-25-10-12-6-8-13(9-7-12)17-14-4-2-3-5-16(14)22(21-17)19-20-15(11-26-19)18(23)24/h2-9,11H,10H2,1H3,(H,23,24).
What are the key properties of 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 44611642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).