3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide

C18H19N3O4S — CID 90508378

IUPAC3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-11-8-16(22)21-13(10-26-18(21)20-11)6-7-19-17(23)12-4-5-14(24-2)15(9-12)25-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,23)
InChIKeyOCZOFQVDBMSSBY-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.05
Rot. Bonds6

About 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide (PubChem CID 90508378) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
PubChem CID90508378
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1OC
InChIInChI=1S/C18H19N3O4S/c1-11-8-16(22)21-13(10-26-18(21)20-11)6-7-19-17(23)12-4-5-14(24-2)15(9-12)25-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,23)
InChIKeyOCZOFQVDBMSSBY-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508372
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
CID 90508334
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90508411
3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508473
2-chloro-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508361
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 90508287
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
CID 70702932

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide (CID 90508378) is 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2csc3nc(C)cc(=O)n23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
The InChIKey is OCZOFQVDBMSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-8-16(22)21-13(10-26-18(21)20-11)6-7-19-17(23)12-4-5-14(24-2)15(9-12)25-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,23).
What are the key properties of 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 90508378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).