1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C9H14N2O3S — CID 79391779

IUPAC1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOCC(C)OC(=O)c1c(C)nsc1N
InChIInChI=1S/C9H14N2O3S/c1-5(4-13-3)14-9(12)7-6(2)11-15-8(7)10/h5H,4,10H2,1-3H3
InChIKeyCWMXSLKAOBEOLY-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.23
Rot. Bonds4

About 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79391779) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79391779
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOCC(C)OC(=O)c1c(C)nsc1N
InChIInChI=1S/C9H14N2O3S/c1-5(4-13-3)14-9(12)7-6(2)11-15-8(7)10/h5H,4,10H2,1-3H3
InChIKeyCWMXSLKAOBEOLY-UHFFFAOYSA-N
XLogP1.23
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79391240
propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 112723364
[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 8646813
1-methoxypropan-2-yl 4-methyl-1,3-thiazole-5-carboxylate
CID 71987994
5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 2465960
(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 78915343
cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79392094
oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79391033
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 104562922
1-methoxypropan-2-yl 4-amino-3,5-dichlorobenzoate
CID 82830079
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79364101
[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 79391779) is 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is COCC(C)OC(=O)c1c(C)nsc1N.
What is the InChIKey of 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is CWMXSLKAOBEOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-5(4-13-3)14-9(12)7-6(2)11-15-8(7)10/h5H,4,10H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 230.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79391779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).