methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate

C14H14N4O3S — CID 171829603

IUPACmethyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2cccc3c2cnn3C)nsc1N
InChIInChI=1S/C14H14N4O3S/c1-18-10-5-3-4-8(9(10)6-16-18)7-21-13-11(14(19)20-2)12(15)22-17-13/h3-6H,7,15H2,1-2H3
InChIKeyXOAWEAMZQGWVTM-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.98
Rot. Bonds4

About methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate

methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate (PubChem CID 171829603) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate
PubChem CID171829603
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Namemethyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2cccc3c2cnn3C)nsc1N
InChIInChI=1S/C14H14N4O3S/c1-18-10-5-3-4-8(9(10)6-16-18)7-21-13-11(14(19)20-2)12(15)22-17-13/h3-6H,7,15H2,1-2H3
InChIKeyXOAWEAMZQGWVTM-UHFFFAOYSA-N
XLogP1.98
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(fluoromethyl)-1-methylindazole
CID 84651809
methyl 3-[(2-fluoro-3-methoxyphenyl)methoxy]-5-methylsulfonyl-1,2-thiazole-4-carboxylate
CID 171829756
2-amino-1-(1-methylindazol-4-yl)ethanone
CID 131191051
(1-acetylindazol-4-yl)methyl acetate
CID 67151807
5,5-dimethyl-2-[(1-methylindazol-4-yl)methylamino]hexanoic acid
CID 175558811
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
4-[2-[(2-fluoro-4-methoxycarbonylphenyl)methyl-sulfinatoamino]ethyl]-1-methylindazole
CID 126506799
methyl 2-amino-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 104825835
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide;methyl 6-[[ethylsulfonyl-(1-methylindazol-4-yl)amino]methyl]pyridine-3-carboxylate
CID 162202122
methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 113457440
methyl 4-amino-1,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 127243781
1-methyl-4-phenylmethoxyindazole
CID 143030970

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate (CID 171829603) is methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate is COC(=O)c1c(OCc2cccc3c2cnn3C)nsc1N.
What is the InChIKey of methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate?
The InChIKey is XOAWEAMZQGWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-18-10-5-3-4-8(9(10)6-16-18)7-21-13-11(14(19)20-2)12(15)22-17-13/h3-6H,7,15H2,1-2H3.
What are the key properties of methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate?
methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate has a molecular weight of 318.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-[(1-methylindazol-4-yl)methoxy]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 171829603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).