methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate

C11H12N2O2S2 — CID 103199632

IUPACmethyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)c(C)s2)sc1N
InChIInChI=1S/C11H12N2O2S2/c1-5-4-7(16-6(5)2)10-13-8(9(12)17-10)11(14)15-3/h4H,12H2,1-3H3
InChIKeyGZCMYKNMZWYQFJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.86
Rot. Bonds2

About methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate

methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 103199632) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID103199632
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Namemethyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)c(C)s2)sc1N
InChIInChI=1S/C11H12N2O2S2/c1-5-4-7(16-6(5)2)10-13-8(9(12)17-10)11(14)15-3/h4H,12H2,1-3H3
InChIKeyGZCMYKNMZWYQFJ-UHFFFAOYSA-N
XLogP2.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199677
methyl 5-amino-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199582
methyl 5-amino-2-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199671
methyl 5-amino-2-(4-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199703
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
methyl 5-amino-2-(2-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199605
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 5-amino-2-(2-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 103199613

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate (CID 103199632) is methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cc(C)c(C)s2)sc1N.
What is the InChIKey of methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is GZCMYKNMZWYQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-5-4-7(16-6(5)2)10-13-8(9(12)17-10)11(14)15-3/h4H,12H2,1-3H3.
What are the key properties of methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).