2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C12H9F3N4OS2 — CID 137266192

IUPAC2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H9F3N4OS2/c1-19(11-17-7(5-22-11)12(13,14)15)4-8-16-6-2-3-21-9(6)10(20)18-8/h2-3,5H,4H2,1H3,(H,16,18,20)
InChIKeyWMYQORAFZSQERO-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.10
Rot. Bonds3

About 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137266192) has the molecular formula C12H9F3N4OS2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137266192
Molecular FormulaC12H9F3N4OS2
Molecular Weight346.36 g/mol
Exact Mass346.02
IUPAC Name2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H9F3N4OS2/c1-19(11-17-7(5-22-11)12(13,14)15)4-8-16-6-2-3-21-9(6)10(20)18-8/h2-3,5H,4H2,1H3,(H,16,18,20)
InChIKeyWMYQORAFZSQERO-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[[methyl-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266300
2-[[1,3-benzothiazol-2-yl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266156
2-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 163317705
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-[[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266202
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 135857892
N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 137294343
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777082
2-[[(2-hydroxy-2-phenylpropyl)-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136532006
2-[[[(2R)-2-hydroxy-2-phenylpropyl]-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136857776
2-[[methyl(pyrrolidin-3-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137154605
2-(aminomethyl)-2-ethyl-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide;hydrochloride
CID 137032711

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137266192) is 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is CN(Cc1nc2ccsc2c(=O)[nH]1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WMYQORAFZSQERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4OS2/c1-19(11-17-7(5-22-11)12(13,14)15)4-8-16-6-2-3-21-9(6)10(20)18-8/h2-3,5H,4H2,1H3,(H,16,18,20).
What are the key properties of 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 346.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137266192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).