5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one

C19H11ClN4O2S2 — CID 38847606

IUPAC5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1noc(-c2cccs2)n1
InChIInChI=1S/C19H11ClN4O2S2/c20-12-5-3-11(4-6-12)13-9-28-18-16(13)19(25)24(10-21-18)8-15-22-17(26-23-15)14-2-1-7-27-14/h1-7,9-10H,8H2
InChIKeyKJRXFXRONAHMSE-UHFFFAOYSA-N
MW426.91 g/mol
LogP4.94
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 38847606) has the molecular formula C19H11ClN4O2S2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID38847606
Molecular FormulaC19H11ClN4O2S2
Molecular Weight426.91 g/mol
Exact Mass426.00
IUPAC Name5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1noc(-c2cccs2)n1
InChIInChI=1S/C19H11ClN4O2S2/c20-12-5-3-11(4-6-12)13-9-28-18-16(13)19(25)24(10-21-18)8-15-22-17(26-23-15)14-2-1-7-27-14/h1-7,9-10H,8H2
InChIKeyKJRXFXRONAHMSE-UHFFFAOYSA-N
XLogP4.94
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 55450178
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 138042506
5-(4-chlorophenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18099654
3-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
5-(4-chlorophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 1191816
3-[[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid
CID 7729554
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 38865781
5-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
CID 24674180
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
3-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 120854859
3-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7629149
3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one
CID 7629258

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 38847606) is 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1noc(-c2cccs2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KJRXFXRONAHMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O2S2/c20-12-5-3-11(4-6-12)13-9-28-18-16(13)19(25)24(10-21-18)8-15-22-17(26-23-15)14-2-1-7-27-14/h1-7,9-10H,8H2.
What are the key properties of 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 426.91 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 38847606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).