2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid

C16H19ClN2O4S — CID 99948041

IUPAC2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid
SMILESCOc1cc(CN(C)[C@@H](C)c2nccs2)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C16H19ClN2O4S/c1-10(16-18-4-5-24-16)19(2)8-11-6-12(17)15(13(7-11)22-3)23-9-14(20)21/h4-7,10H,8-9H2,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeySASDZBBJAGWAOU-JTQLQIEISA-N
MW370.86 g/mol
LogP3.46
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid

2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid (PubChem CID 99948041) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid
PubChem CID99948041
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid
SMILESCOc1cc(CN(C)[C@@H](C)c2nccs2)cc(Cl)c1OCC(=O)O
InChIInChI=1S/C16H19ClN2O4S/c1-10(16-18-4-5-24-16)19(2)8-11-6-12(17)15(13(7-11)22-3)23-9-14(20)21/h4-7,10H,8-9H2,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeySASDZBBJAGWAOU-JTQLQIEISA-N
XLogP3.46
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[2-chloro-4-[[2-hydroxyethyl(1H-imidazol-2-ylmethyl)amino]methyl]-6-methoxyphenoxy]acetic acid;formic acid
CID 154916913
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide
CID 77097544
2-[2-chloro-6-methoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 19644554
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
6-chloro-N-(2-methoxyethyl)-2-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]quinazolin-4-amine
CID 126465130
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
3-[3-chloro-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]propanoic acid
CID 20985106
2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43276554
2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43276589
2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56570966

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid (CID 99948041) is 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid is COc1cc(CN(C)[C@@H](C)c2nccs2)cc(Cl)c1OCC(=O)O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is SASDZBBJAGWAOU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-10(16-18-4-5-24-16)19(2)8-11-6-12(17)15(13(7-11)22-3)23-9-14(20)21/h4-7,10H,8-9H2,1-3H3,(H,20,21)/t10-/m0/s1.
What are the key properties of 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid?
2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 370.86 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 99948041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).