5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C13H12N4OS — CID 118733049

IUPAC5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1cccc(Nc2nc3c(=O)[nH]c(C)nc3s2)c1
InChIInChI=1S/C13H12N4OS/c1-7-4-3-5-9(6-7)16-13-17-10-11(18)14-8(2)15-12(10)19-13/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyUUIWRGSXXUQBRD-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.74
Rot. Bonds2

About 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733049) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733049
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1cccc(Nc2nc3c(=O)[nH]c(C)nc3s2)c1
InChIInChI=1S/C13H12N4OS/c1-7-4-3-5-9(6-7)16-13-17-10-11(18)14-8(2)15-12(10)19-13/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyUUIWRGSXXUQBRD-UHFFFAOYSA-N
XLogP2.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
1-[4-Methyl-2-(3-toluidino)-1,3-thiazol-5-yl]-1-ethanone
CID 1485160
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
5-(4-Methylbenzamido)-2-(phenylamino)thiazole-4-carboxamide
CID 46234348
5-(Cyclohexanecarboxamido)-2-(phenylamino)thiazole-4-carboxamide
CID 46355372
2-(4-fluorophenyl)-5-methyl-thiazolo[5,4-d]pyrimidin-7(6H)-one
CID 66757824
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109
2-Anilino-5-{[4-(dimethylamino)benzoyl]amino}-1,3-thiazole-4-carboxamide
CID 16030183
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 71818282
5-methyl-2-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733025
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733049) is 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1cccc(Nc2nc3c(=O)[nH]c(C)nc3s2)c1.
What is the InChIKey of 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is UUIWRGSXXUQBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-4-3-5-9(6-7)16-13-17-10-11(18)14-8(2)15-12(10)19-13/h3-6H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 272.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).