propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C8H12N2O2S — CID 112723364

IUPACpropyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCCOC(=O)c1c(C)nsc1N
InChIInChI=1S/C8H12N2O2S/c1-3-4-12-8(11)6-5(2)10-13-7(6)9/h3-4,9H2,1-2H3
InChIKeyVYSSRGKFGJNLHN-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.60
Rot. Bonds3

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

propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 112723364) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID112723364
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namepropyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCCOC(=O)c1c(C)nsc1N
InChIInChI=1S/C8H12N2O2S/c1-3-4-12-8(11)6-5(2)10-13-7(6)9/h3-4,9H2,1-2H3
InChIKeyVYSSRGKFGJNLHN-UHFFFAOYSA-N
XLogP1.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79391240
1-methoxypropan-2-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79391779
(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 78915343
5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 2465960
cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79392094
[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 8646690
[2-(3,4-difluoroanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 8646640
[(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
oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79391033
dipropyl 5-amino-2-hydroxy-4,6-dimethylbenzene-1,3-dicarboxylate
CID 56971607
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 8646840
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665

Frequently Asked Questions

What is the IUPAC name of propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 112723364) is propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is CCCOC(=O)c1c(C)nsc1N.
What is the InChIKey of propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is VYSSRGKFGJNLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-4-12-8(11)6-5(2)10-13-7(6)9/h3-4,9H2,1-2H3.
What are the key properties of propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 112723364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).