methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

C8H6N2O3S — CID 648108

IUPACmethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
InChIKeyYPIZITNNUSTRMY-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.54
Rot. Bonds1

About methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 648108) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID648108
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Namemethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
InChIKeyYPIZITNNUSTRMY-UHFFFAOYSA-N
XLogP0.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 77095874
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 118766149
7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 157014856
N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 157017479
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 118765307
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 74248399
N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 91768845
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 99927064
5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 10752329
ethyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate
CID 71670331
methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 7764019

Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 648108) is methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is COC(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is YPIZITNNUSTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3.
What are the key properties of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 210.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 648108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).