7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C10H10ClN3O2S — CID 118009656

IUPAC7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1csc2nc(CCl)cc(=O)n12
InChIInChI=1S/C10H10ClN3O2S/c1-2-12-9(16)7-5-17-10-13-6(4-11)3-8(15)14(7)10/h3,5H,2,4H2,1H3,(H,12,16)
InChIKeyIHBKCPQKHMRVBL-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.24
Rot. Bonds3

About 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118009656) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118009656
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1csc2nc(CCl)cc(=O)n12
InChIInChI=1S/C10H10ClN3O2S/c1-2-12-9(16)7-5-17-10-13-6(4-11)3-8(15)14(7)10/h3,5H,2,4H2,1H3,(H,12,16)
InChIKeyIHBKCPQKHMRVBL-UHFFFAOYSA-N
XLogP1.24
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-(chloromethyl)-N-ethyl-5-oxo-2-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010370
7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010763
7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438431
7-(Chloromethyl)-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-5H-thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118995322
7-(Chloromethyl)-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009239
2-chloro-7-(chloromethyl)-N-ethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009525
7-(Chloromethyl)-N,2-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010653
7-(chloromethyl)-N-ethyl-2-methoxy-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010831
[2-(Tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8767071
[2-(Methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8772037
N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide
CID 8772038
[2-(Tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8795366

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118009656) is 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1csc2nc(CCl)cc(=O)n12.
What is the InChIKey of 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is IHBKCPQKHMRVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-2-12-9(16)7-5-17-10-13-6(4-11)3-8(15)14(7)10/h3,5H,2,4H2,1H3,(H,12,16).
What are the key properties of 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 271.73 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118009656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).