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

C17H17N3O4S — CID 135853369

IUPAC7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1c(O)nc2scc(C)n2c1=O
InChIInChI=1S/C17H17N3O4S/c1-10-9-25-17-19-15(22)13(16(23)20(10)17)14(21)18-8-7-11-5-3-4-6-12(11)24-2/h3-6,9,22H,7-8H2,1-2H3,(H,18,21)
InChIKeyMQZVTIOYYCWIAN-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.75
Rot. Bonds5

About 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853369) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853369
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1c(O)nc2scc(C)n2c1=O
InChIInChI=1S/C17H17N3O4S/c1-10-9-25-17-19-15(22)13(16(23)20(10)17)14(21)18-8-7-11-5-3-4-6-12(11)24-2/h3-6,9,22H,7-8H2,1-2H3,(H,18,21)
InChIKeyMQZVTIOYYCWIAN-UHFFFAOYSA-N
XLogP1.75
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-hydroxy-N-[(2R)-2-hydroxypropyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135880129
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
N-[2-(2-methoxyphenyl)ethyl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509990
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91821697
2-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681072
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509412

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853369) is 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccccc1CCNC(=O)c1c(O)nc2scc(C)n2c1=O.
What is the InChIKey of 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MQZVTIOYYCWIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-10-9-25-17-19-15(22)13(16(23)20(10)17)14(21)18-8-7-11-5-3-4-6-12(11)24-2/h3-6,9,22H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).