3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one

C14H15N3OS2 — CID 75373679

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3nc(C)c(C)s3)cnc2s1
InChIInChI=1S/C14H15N3OS2/c1-4-10-5-11-13(20-10)15-7-17(14(11)18)6-12-16-8(2)9(3)19-12/h5,7H,4,6H2,1-3H3
InChIKeyUPHHVKUSLXMJMG-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.14
Rot. Bonds3

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 75373679) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
PubChem CID75373679
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3nc(C)c(C)s3)cnc2s1
InChIInChI=1S/C14H15N3OS2/c1-4-10-5-11-13(20-10)15-7-17(14(11)18)6-12-16-8(2)9(3)19-12/h5,7H,4,6H2,1-3H3
InChIKeyUPHHVKUSLXMJMG-UHFFFAOYSA-N
XLogP3.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one (CID 75373679) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(Cc3nc(C)c(C)s3)cnc2s1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is UPHHVKUSLXMJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-4-10-5-11-13(20-10)15-7-17(14(11)18)6-12-16-8(2)9(3)19-12/h5,7H,4,6H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 75373679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).