5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C10H7N3OS2 — CID 118988013

IUPAC5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCC1=NC(=O)C2N=C(c3cccs3)SC2=N1
InChIInChI=1S/C10H7N3OS2/c1-5-11-8(14)7-10(12-5)16-9(13-7)6-3-2-4-15-6/h2-4,7H,1H3
InChIKeyWJFUBJSBSWXDOJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.97
Rot. Bonds1

About 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 118988013) has the molecular formula C10H7N3OS2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID118988013
Molecular FormulaC10H7N3OS2
Molecular Weight249.32 g/mol
Exact Mass249.00
IUPAC Name5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCC1=NC(=O)C2N=C(c3cccs3)SC2=N1
InChIInChI=1S/C10H7N3OS2/c1-5-11-8(14)7-10(12-5)16-9(13-7)6-3-2-4-15-6/h2-4,7H,1H3
InChIKeyWJFUBJSBSWXDOJ-UHFFFAOYSA-N
XLogP1.97
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-3-thiophen-2-yl-1,4,2-oxathiazin-5-one
CID 90689330
(3aR,6aR)-2,5-dithiophen-2-yl-3a,6a-dihydro-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 100816758
4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
CID 106953389
2-amino-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one
CID 78145825
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one
CID 56639314
2-thiophen-2-ylthiophene;triazine
CID 175444863
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
(6R)-3-thiophen-2-yl-2-azabicyclo[4.1.0]hepta-2,4-diene
CID 70330479
5-(5-thiophen-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 57390260
5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
CID 170016732

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 118988013) is 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one is CC1=NC(=O)C2N=C(c3cccs3)SC2=N1.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is WJFUBJSBSWXDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS2/c1-5-11-8(14)7-10(12-5)16-9(13-7)6-3-2-4-15-6/h2-4,7H,1H3.
What are the key properties of 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 249.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-2-yl-7aH-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 118988013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).