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

C18H16N4OS2 — CID 55578169

IUPAC3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(Cc3csc(Nc4ccccc4)n3)c(=O)c2c1C
InChIInChI=1S/C18H16N4OS2/c1-11-12(2)25-16-15(11)17(23)22(10-19-16)8-14-9-24-18(21-14)20-13-6-4-3-5-7-13/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyZSGQMFYKHUOPOT-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.32
Rot. Bonds4

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

3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 55578169) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID55578169
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(Cc3csc(Nc4ccccc4)n3)c(=O)c2c1C
InChIInChI=1S/C18H16N4OS2/c1-11-12(2)25-16-15(11)17(23)22(10-19-16)8-14-9-24-18(21-14)20-13-6-4-3-5-7-13/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyZSGQMFYKHUOPOT-UHFFFAOYSA-N
XLogP4.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

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
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 29329300
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063
3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 734927
3-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7885759
3-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 135591109
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 31688381
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 7629831
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 39430068
5,6-dimethyl-3-(2-naphthalen-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
CID 46409402
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41189976
5,6-dimethyl-3-[2-(sulfanylmethyl)prop-2-enyl]thieno[2,3-d]pyrimidin-4-one
CID 103073948

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 55578169) is 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(Cc3csc(Nc4ccccc4)n3)c(=O)c2c1C.
What is the InChIKey of 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZSGQMFYKHUOPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-11-12(2)25-16-15(11)17(23)22(10-19-16)8-14-9-24-18(21-14)20-13-6-4-3-5-7-13/h3-7,9-10H,8H2,1-2H3,(H,20,21).
What are the key properties of 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 368.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilino-1,3-thiazol-4-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55578169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).