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

C13H13N3OS2 — CID 38866791

IUPAC3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1nc(Cn2cnc3sccc3c2=O)cs1
InChIInChI=1S/C13H13N3OS2/c1-8(2)11-15-9(6-19-11)5-16-7-14-12-10(13(16)17)3-4-18-12/h3-4,6-8H,5H2,1-2H3
InChIKeyQUXKYWGEBBCLFA-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.09
Rot. Bonds3

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

3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 38866791) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID38866791
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1nc(Cn2cnc3sccc3c2=O)cs1
InChIInChI=1S/C13H13N3OS2/c1-8(2)11-15-9(6-19-11)5-16-7-14-12-10(13(16)17)3-4-18-12/h3-4,6-8H,5H2,1-2H3
InChIKeyQUXKYWGEBBCLFA-UHFFFAOYSA-N
XLogP3.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 38866791) is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one is CC(C)c1nc(Cn2cnc3sccc3c2=O)cs1.
What is the InChIKey of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QUXKYWGEBBCLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-8(2)11-15-9(6-19-11)5-16-7-14-12-10(13(16)17)3-4-18-12/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 291.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 38866791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).