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

C13H12N4O2S — CID 118733048

IUPAC2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCOc1cccc(Nc2nc3c(=O)[nH]c(C)nc3s2)c1
InChIInChI=1S/C13H12N4O2S/c1-7-14-11(18)10-12(15-7)20-13(17-10)16-8-4-3-5-9(6-8)19-2/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyKKQRKKPHRYDCML-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.44
Rot. Bonds3

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

2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118733048) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118733048
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCOc1cccc(Nc2nc3c(=O)[nH]c(C)nc3s2)c1
InChIInChI=1S/C13H12N4O2S/c1-7-14-11(18)10-12(15-7)20-13(17-10)16-8-4-3-5-9(6-8)19-2/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyKKQRKKPHRYDCML-UHFFFAOYSA-N
XLogP2.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cyclohexylcarbamoylmethyl-N-(3-methoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3212293
Ethyl 2-(3-(3-methoxyphenyl)ureido)thiazole-4-carboxylate
CID 4518728
2-((4-(difluoromethoxy)phenyl)amino)-N-(3,4-dimethoxyphenyl)thiazole-4-carboxamide
CID 30860203
2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6467343
1-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35281683
1-(3-Methoxyphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72113810
2-(4-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733045
3-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)diazenyl]-5,6-bis(3-methoxyanilino)-1H-pyridin-2-one
CID 145981498
N,N-diethyl-2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxamide
CID 1096808
2-benzamido-N-(3-methoxyphenyl)thiazole-4-carboxamide
CID 16914960
2-((4-Ethoxyphenyl)amino)thiazole-4-carboxamide
CID 16954964
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 53161064

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118733048) is 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is COc1cccc(Nc2nc3c(=O)[nH]c(C)nc3s2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is KKQRKKPHRYDCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7-14-11(18)10-12(15-7)20-13(17-10)16-8-4-3-5-9(6-8)19-2/h3-6H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 288.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118733048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).