N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H15N3O3S — CID 4148825

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-9-23-16-18-8-13(15(21)19(10)16)14(20)17-7-11-3-5-12(22-2)6-4-11/h3-6,8-9H,7H2,1-2H3,(H,17,20)
InChIKeyDJSBVFAHYRLMOM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.00
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4148825) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4148825
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-9-23-16-18-8-13(15(21)19(10)16)14(20)17-7-11-3-5-12(22-2)6-4-11/h3-6,8-9H,7H2,1-2H3,(H,17,20)
InChIKeyDJSBVFAHYRLMOM-UHFFFAOYSA-N
XLogP2.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4148825) is N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DJSBVFAHYRLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-9-23-16-18-8-13(15(21)19(10)16)14(20)17-7-11-3-5-12(22-2)6-4-11/h3-6,8-9H,7H2,1-2H3,(H,17,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4148825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).