(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate

C19H18N4O4S2 — CID 30591342

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate
SMILESCc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)OCc1nc(C(C)C)no1
InChIInChI=1S/C19H18N4O4S2/c1-10(2)17-21-14(27-22-17)8-26-15(24)7-23-11(3)20-18-16(19(23)25)12(9-29-18)13-5-4-6-28-13/h4-6,9-10H,7-8H2,1-3H3
InChIKeyNHOYGHJMECBFAN-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.74
Rot. Bonds6

About (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate (PubChem CID 30591342) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate
PubChem CID30591342
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate
SMILESCc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)OCc1nc(C(C)C)no1
InChIInChI=1S/C19H18N4O4S2/c1-10(2)17-21-14(27-22-17)8-26-15(24)7-23-11(3)20-18-16(19(23)25)12(9-29-18)13-5-4-6-28-13/h4-6,9-10H,7-8H2,1-3H3
InChIKeyNHOYGHJMECBFAN-UHFFFAOYSA-N
XLogP3.74
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate with MolForge

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Related Compounds

2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 2513473
2-(4-oxo-2-propan-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898499
(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
5-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895853
3-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid
CID 28895602
3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 24631203
2-(4-oxo-2-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898565
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 138042506
3-(2-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28900124
methyl 2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 18075636
2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 7743810
2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide
CID 8883033

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate (CID 30591342) is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate is Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)OCc1nc(C(C)C)no1.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate?
The InChIKey is NHOYGHJMECBFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-10(2)17-21-14(27-22-17)8-26-15(24)7-23-11(3)20-18-16(19(23)25)12(9-29-18)13-5-4-6-28-13/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate has a molecular weight of 430.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 30591342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).