2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole

C17H11ClN4OS2 — CID 9333674

IUPAC2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1
InChIInChI=1S/C17H11ClN4OS2/c18-11-5-3-9(4-6-11)12-7-24-15-13(12)16(20-8-19-15)25-17-22-21-14(23-17)10-1-2-10/h3-8,10H,1-2H2
InChIKeyWXZMAYFJTBDMCC-UHFFFAOYSA-N
MW386.89 g/mol
LogP5.42
Rot. Bonds4

About 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole

2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 9333674) has the molecular formula C17H11ClN4OS2 and a molecular weight of 386.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID9333674
Molecular FormulaC17H11ClN4OS2
Molecular Weight386.89 g/mol
Exact Mass386.01
IUPAC Name2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1
InChIInChI=1S/C17H11ClN4OS2/c18-11-5-3-9(4-6-11)12-7-24-15-13(12)16(20-8-19-15)25-17-22-21-14(23-17)10-1-2-10/h3-8,10H,1-2H2
InChIKeyWXZMAYFJTBDMCC-UHFFFAOYSA-N
XLogP5.42
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.89
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole with MolForge

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Related Compounds

1-[[5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
CID 118712233
5-(4-Chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
CID 9266740
5-(4-Chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 9360569
2-Methyl-5-[5-(3-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1,3,4-oxadiazole
CID 66835653
2-{[5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}butanoic acid
CID 3371778
2-Ethyl-5-[5-(3-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1,3,4-oxadiazole
CID 127037107
2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole
CID 24244623
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}acetamide
CID 2200350
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2241378
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 2243120
2-Cyclopropyl-5-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 9120532
2-Cyclopropyl-5-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 9206515

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole (CID 9333674) is 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole is Clc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is WXZMAYFJTBDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS2/c18-11-5-3-9(4-6-11)12-7-24-15-13(12)16(20-8-19-15)25-17-22-21-14(23-17)10-1-2-10/h3-8,10H,1-2H2.
What are the key properties of 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole?
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 386.89 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 9333674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).