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

C18H15ClN4O2S — CID 118017913

IUPAC7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3Cl)cc(=O)n12
InChIInChI=1S/C18H15ClN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-15(24)23(16)18)7-12-6-11(9-20)4-5-14(12)19/h4-6,8H,3,7H2,1-2H3,(H,21,25)
InChIKeyOWYRELZGAGEKFO-UHFFFAOYSA-N
MW386.86 g/mol
LogP2.93
Rot. Bonds4

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

7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017913) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118017913
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC Name7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3Cl)cc(=O)n12
InChIInChI=1S/C18H15ClN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-15(24)23(16)18)7-12-6-11(9-20)4-5-14(12)19/h4-6,8H,3,7H2,1-2H3,(H,21,25)
InChIKeyOWYRELZGAGEKFO-UHFFFAOYSA-N
XLogP2.93
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017913) is 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3Cl)cc(=O)n12.
What is the InChIKey of 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is OWYRELZGAGEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-15(24)23(16)18)7-12-6-11(9-20)4-5-14(12)19/h4-6,8H,3,7H2,1-2H3,(H,21,25).
What are the key properties of 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-5-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).