2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

C19H17N3O5S — CID 162757194

IUPAC2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
SMILESCOC(=O)NCc1nc(C)c(-c2cccc(-c3ccc(C(=O)O)c(O)c3)n2)s1
InChIInChI=1S/C19H17N3O5S/c1-10-17(28-16(21-10)9-20-19(26)27-2)14-5-3-4-13(22-14)11-6-7-12(18(24)25)15(23)8-11/h3-8,23H,9H2,1-2H3,(H,20,26)(H,24,25)
InChIKeySBQHAEMSDGDWQG-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.44
Rot. Bonds5

About 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (PubChem CID 162757194) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
PubChem CID162757194
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
SMILESCOC(=O)NCc1nc(C)c(-c2cccc(-c3ccc(C(=O)O)c(O)c3)n2)s1
InChIInChI=1S/C19H17N3O5S/c1-10-17(28-16(21-10)9-20-19(26)27-2)14-5-3-4-13(22-14)11-6-7-12(18(24)25)15(23)8-11/h3-8,23H,9H2,1-2H3,(H,20,26)(H,24,25)
InChIKeySBQHAEMSDGDWQG-UHFFFAOYSA-N
XLogP3.44
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid with MolForge

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Related Compounds

US20230348450, Example 10
CID 162757345
US20230348450, Example 5
CID 162757366
US20230348450, Example 217
CID 162757010
US20230348450, Example 199
CID 162757024
US20230348450, Example 220
CID 162757025
US20230348450, Example 135
CID 162757036
US20230348450, Example 259
CID 162757046
US20230348450, Example 114
CID 162757067
US20230348450, Example 162
CID 162757070
US20230348450, Example 127
CID 162757082
US20230348450, Example 198
CID 162757089
US20230348450, Example 118
CID 162757100

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The IUPAC name of 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (CID 162757194) is 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is COC(=O)NCc1nc(C)c(-c2cccc(-c3ccc(C(=O)O)c(O)c3)n2)s1.
What is the InChIKey of 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The InChIKey is SBQHAEMSDGDWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-10-17(28-16(21-10)9-20-19(26)27-2)14-5-3-4-13(22-14)11-6-7-12(18(24)25)15(23)8-11/h3-8,23H,9H2,1-2H3,(H,20,26)(H,24,25).
What are the key properties of 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid has a molecular weight of 399.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[6-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 162757194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).