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

C14H9N3O2S2 — CID 32740125

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H9N3O2S2/c18-14-10-3-5-20-12(10)15-8-17(14)6-9-7-21-13(16-9)11-2-1-4-19-11/h1-5,7-8H,6H2
InChIKeyMZCXCSOFXAAIHY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.22
Rot. Bonds3

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

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 32740125) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID32740125
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H9N3O2S2/c18-14-10-3-5-20-12(10)15-8-17(14)6-9-7-21-13(16-9)11-2-1-4-19-11/h1-5,7-8H,6H2
InChIKeyMZCXCSOFXAAIHY-UHFFFAOYSA-N
XLogP3.22
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 32867112
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
3-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 46678669
3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 25352957
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 114218090
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513648
3-[2-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 40918751
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 55486391
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 120859273
3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577055
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 63641232

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 32740125) is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1Cc1csc(-c2ccco2)n1.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MZCXCSOFXAAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-14-10-3-5-20-12(10)15-8-17(14)6-9-7-21-13(16-9)11-2-1-4-19-11/h1-5,7-8H,6H2.
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 315.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 32740125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).