3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid

C17H20N2O5S — CID 120517845

IUPAC3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCOCc1nc(C)c(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)s1
InChIInChI=1S/C17H20N2O5S/c1-9(2)24-13-6-5-11(17(21)22)7-12(13)19-16(20)15-10(3)18-14(25-15)8-23-4/h5-7,9H,8H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyJHLOIGVEALJLQR-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.34
Rot. Bonds7

About 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid

3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid (PubChem CID 120517845) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
PubChem CID120517845
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCOCc1nc(C)c(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)s1
InChIInChI=1S/C17H20N2O5S/c1-9(2)24-13-6-5-11(17(21)22)7-12(13)19-16(20)15-10(3)18-14(25-15)8-23-4/h5-7,9H,8H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyJHLOIGVEALJLQR-UHFFFAOYSA-N
XLogP3.34
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid with MolForge

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Related Compounds

4-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 91644928
2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
CID 120512064
N-(2-ethylquinolin-4-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75508954
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196669
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
CID 120517846
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
3-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686170
3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid (CID 120517845) is 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid is COCc1nc(C)c(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)s1.
What is the InChIKey of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is JHLOIGVEALJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-9(2)24-13-6-5-11(17(21)22)7-12(13)19-16(20)15-10(3)18-14(25-15)8-23-4/h5-7,9H,8H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 364.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 120517845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).