methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate

C7H6N2O2S — CID 130741870

IUPACmethyl imidazo[5,1-b][1,3]thiazole-3-carboxylate
SMILESCOC(=O)c1csc2cncn12
InChIInChI=1S/C7H6N2O2S/c1-11-7(10)5-3-12-6-2-8-4-9(5)6/h2-4H,1H3
InChIKeyGYSDONVYKNGFAN-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.18
Rot. Bonds1

About methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate

methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate (PubChem CID 130741870) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl imidazo[5,1-b][1,3]thiazole-3-carboxylate
PubChem CID130741870
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Namemethyl imidazo[5,1-b][1,3]thiazole-3-carboxylate
SMILESCOC(=O)c1csc2cncn12
InChIInChI=1S/C7H6N2O2S/c1-11-7(10)5-3-12-6-2-8-4-9(5)6/h2-4H,1H3
InChIKeyGYSDONVYKNGFAN-UHFFFAOYSA-N
XLogP1.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5,5-dimethyloxan-2-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide
CID 136566848
2-imidazo[5,1-b][1,3]thiazol-3-ylethanol
CID 19605055
methyl 4-(3-methylimidazol-4-yl)-1,3-thiazole-2-carboxylate
CID 172595710
methyl 5,8-dimethylimidazo[1,5-a]pyridine-6-carboxylate
CID 167289498
methyl 4-aminoimidazo[1,5-a]pyrimidine-3-carboxylate
CID 76849877
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
CID 24828316
methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422185
methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422173

Frequently Asked Questions

What is the IUPAC name of methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate (CID 130741870) is methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate is COC(=O)c1csc2cncn12.
What is the InChIKey of methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is GYSDONVYKNGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-11-7(10)5-3-12-6-2-8-4-9(5)6/h2-4H,1H3.
What are the key properties of methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate?
methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 182.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl imidazo[5,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 130741870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).