3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C11H10N4OS2 — CID 139013406

IUPAC3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1ncsc1Cn1cnc2snc(C)c2c1=O
InChIInChI=1S/C11H10N4OS2/c1-6-8(17-5-13-6)3-15-4-12-10-9(11(15)16)7(2)14-18-10/h4-5H,3H2,1-2H3
InChIKeyXFZPCQGSIGKQFO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.97
Rot. Bonds2

About 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 139013406) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID139013406
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1ncsc1Cn1cnc2snc(C)c2c1=O
InChIInChI=1S/C11H10N4OS2/c1-6-8(17-5-13-6)3-15-4-12-10-9(11(15)16)7(2)14-18-10/h4-5H,3H2,1-2H3
InChIKeyXFZPCQGSIGKQFO-UHFFFAOYSA-N
XLogP1.97
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166298138
5-(2-hydroxyethyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 130481752
3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166235559
3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 136542696
5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid
CID 114203132
3-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 167950484
3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166241492
5-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 100684487
5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one
CID 114583715
4-methyl-5-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole
CID 154784113
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole
CID 130892014

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 139013406) is 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is Cc1ncsc1Cn1cnc2snc(C)c2c1=O.
What is the InChIKey of 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XFZPCQGSIGKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-6-8(17-5-13-6)3-15-4-12-10-9(11(15)16)7(2)14-18-10/h4-5H,3H2,1-2H3.
What are the key properties of 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 278.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 139013406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).