3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide

C15H18N2O5S — CID 59346912

IUPAC3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCc1csc(NC(=O)c2cc(O)cc(O[C@@H](C)CO)c2)n1
InChIInChI=1S/C15H18N2O5S/c1-9(6-18)22-13-4-10(3-12(19)5-13)14(20)17-15-16-11(7-21-2)8-23-15/h3-5,8-9,18-19H,6-7H2,1-2H3,(H,16,17,20)/t9-/m0/s1
InChIKeyOSHFHXFFYKMELM-VIFPVBQESA-N
MW338.39 g/mol
LogP2.01
Rot. Bonds7

About 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide

3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 59346912) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID59346912
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOCc1csc(NC(=O)c2cc(O)cc(O[C@@H](C)CO)c2)n1
InChIInChI=1S/C15H18N2O5S/c1-9(6-18)22-13-4-10(3-12(19)5-13)14(20)17-15-16-11(7-21-2)8-23-15/h3-5,8-9,18-19H,6-7H2,1-2H3,(H,16,17,20)/t9-/m0/s1
InChIKeyOSHFHXFFYKMELM-VIFPVBQESA-N
XLogP2.01
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)benzamide
CID 10028607
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
3-[(2S)-1-hydroxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 11719585
ethoxy-[[2-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-4-yl]methyl]phosphinic acid
CID 58266028
3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide
CID 59735852
2-[2-[[2-[(2R)-1-hydroxypropan-2-yl]oxy-6-(4-methylsulfonylphenoxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87420004
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-[2-(4-fluorophenyl)ethoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 58265819
3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 59127134
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 10362780
2-[(2S)-1-methoxypropan-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828242

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide (CID 59346912) is 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide is COCc1csc(NC(=O)c2cc(O)cc(O[C@@H](C)CO)c2)n1.
What is the InChIKey of 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OSHFHXFFYKMELM-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-9(6-18)22-13-4-10(3-12(19)5-13)14(20)17-15-16-11(7-21-2)8-23-15/h3-5,8-9,18-19H,6-7H2,1-2H3,(H,16,17,20)/t9-/m0/s1.
What are the key properties of 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide?
3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 338.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 59346912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).