N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H16FN5O4S2 — CID 24521210

IUPACN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1sc2ncn(NC(=O)CSc3nnc(COc4ccc(F)cc4)o3)c(=O)c2c1C
InChIInChI=1S/C19H16FN5O4S2/c1-10-11(2)31-17-16(10)18(27)25(9-21-17)24-14(26)8-30-19-23-22-15(29-19)7-28-13-5-3-12(20)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,24,26)
InChIKeyADIKBSSDXSSVRD-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.04
Rot. Bonds7

About N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24521210) has the molecular formula C19H16FN5O4S2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID24521210
Molecular FormulaC19H16FN5O4S2
Molecular Weight461.50 g/mol
Exact Mass461.06
IUPAC NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1sc2ncn(NC(=O)CSc3nnc(COc4ccc(F)cc4)o3)c(=O)c2c1C
InChIInChI=1S/C19H16FN5O4S2/c1-10-11(2)31-17-16(10)18(27)25(9-21-17)24-14(26)8-30-19-23-22-15(29-19)7-28-13-5-3-12(20)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,24,26)
InChIKeyADIKBSSDXSSVRD-UHFFFAOYSA-N
XLogP3.04
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 24521210) is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1sc2ncn(NC(=O)CSc3nnc(COc4ccc(F)cc4)o3)c(=O)c2c1C.
What is the InChIKey of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ADIKBSSDXSSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O4S2/c1-10-11(2)31-17-16(10)18(27)25(9-21-17)24-14(26)8-30-19-23-22-15(29-19)7-28-13-5-3-12(20)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,24,26).
What are the key properties of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 461.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24521210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).