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

C18H19N3O3S — CID 99821404

IUPACN-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc3sc(C)c(C)n3c2=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-11-12(2)25-18-19-9-15(17(23)21(11)18)16(22)20(3)10-13-5-7-14(24-4)8-6-13/h5-9H,10H2,1-4H3
InChIKeyXBHHNDJKXRCBBN-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.65
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 99821404) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID99821404
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc3sc(C)c(C)n3c2=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-11-12(2)25-18-19-9-15(17(23)21(11)18)16(22)20(3)10-13-5-7-14(24-4)8-6-13/h5-9H,10H2,1-4H3
InChIKeyXBHHNDJKXRCBBN-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469973
5-[[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522862
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
N-[(4-methoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696208
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
methyl 2-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
CID 53370574
2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99819584
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 24542052
2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470183
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 99821404) is N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(CN(C)C(=O)c2cnc3sc(C)c(C)n3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XBHHNDJKXRCBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-12(2)25-18-19-9-15(17(23)21(11)18)16(22)20(3)10-13-5-7-14(24-4)8-6-13/h5-9H,10H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 99821404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).