2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid

C23H25N3O5S — CID 87419918

IUPAC2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC(C)Cc2ccccc2)n1
InChIInChI=1S/C23H25N3O5S/c1-14(2)30-19-10-17(22(29)26-23-24-18(13-32-23)12-21(27)28)11-20(25-19)31-15(3)9-16-7-5-4-6-8-16/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,27,28)(H,24,26,29)
InChIKeyWGZBFTJICODMDG-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.21
Rot. Bonds10

About 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87419918) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87419918
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC(C)Cc2ccccc2)n1
InChIInChI=1S/C23H25N3O5S/c1-14(2)30-19-10-17(22(29)26-23-24-18(13-32-23)12-21(27)28)11-20(25-19)31-15(3)9-16-7-5-4-6-8-16/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,27,28)(H,24,26,29)
InChIKeyWGZBFTJICODMDG-UHFFFAOYSA-N
XLogP4.21
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide
CID 87420038
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
ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 87420005
2-[(2S)-1-methoxypropan-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828242
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059
2-[2-[[4-(methylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242168
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
2-[2-[(2-methoxy-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62032289
2-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 87419945
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 43354595

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 87419918) is 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid is CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(OC(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WGZBFTJICODMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-14(2)30-19-10-17(22(29)26-23-24-18(13-32-23)12-21(27)28)11-20(25-19)31-15(3)9-16-7-5-4-6-8-16/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,27,28)(H,24,26,29).
What are the key properties of 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 455.54 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1-phenylpropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87419918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).