3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide

C18H22N4O2S2 — CID 46397325

IUPAC3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1cccs1
InChIInChI=1S/C18H22N4O2S2/c1-3-21(4-2)18-20-14-8-11-26-16(14)17(24)22(18)9-7-15(23)19-12-13-6-5-10-25-13/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3,(H,19,23)
InChIKeyAMWCFZPSEKYBGZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.07
Rot. Bonds8

About 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 46397325) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID46397325
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1cccs1
InChIInChI=1S/C18H22N4O2S2/c1-3-21(4-2)18-20-14-8-11-26-16(14)17(24)22(18)9-7-15(23)19-12-13-6-5-10-25-13/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3,(H,19,23)
InChIKeyAMWCFZPSEKYBGZ-UHFFFAOYSA-N
XLogP3.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 46397325) is 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide is CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1cccs1.
What is the InChIKey of 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is AMWCFZPSEKYBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-3-21(4-2)18-20-14-8-11-26-16(14)17(24)22(18)9-7-15(23)19-12-13-6-5-10-25-13/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3,(H,19,23).
What are the key properties of 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 46397325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).