5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

C20H16N4O3S — CID 135495824

IUPAC5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccc(OCc4ccccc4)cc3)snc2c(=O)[nH]1
InChIInChI=1S/C20H16N4O3S/c1-12-21-16-17(19(25)22-12)24-28-18(16)20(26)23-14-7-9-15(10-8-14)27-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyHVWFEZCMMQVGOK-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.52
Rot. Bonds5

About 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (PubChem CID 135495824) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
PubChem CID135495824
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)Nc3ccc(OCc4ccccc4)cc3)snc2c(=O)[nH]1
InChIInChI=1S/C20H16N4O3S/c1-12-21-16-17(19(25)22-12)24-28-18(16)20(26)23-14-7-9-15(10-8-14)27-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyHVWFEZCMMQVGOK-UHFFFAOYSA-N
XLogP3.52
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135495828
N-(4-acetylphenyl)-5-methyl-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135457087
5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832138
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392937
5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 110692063
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (CID 135495824) is 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)Nc3ccc(OCc4ccccc4)cc3)snc2c(=O)[nH]1.
What is the InChIKey of 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The InChIKey is HVWFEZCMMQVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-12-21-16-17(19(25)22-12)24-28-18(16)20(26)23-14-7-9-15(10-8-14)27-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25).
What are the key properties of 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-N-(4-phenylmethoxyphenyl)-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 135495824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).