3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

C11H13N5O2S2 — CID 60728043

IUPAC3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H13N5O2S2/c1-13-10(18)14-7(17)3-5-20-11-15-8(12)6-2-4-19-9(6)16-11/h2,4H,3,5H2,1H3,(H2,12,15,16)(H2,13,14,17,18)
InChIKeyCVPMURVYVGYEQD-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.21
Rot. Bonds4

About 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide

3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 60728043) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID60728043
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC Name3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H13N5O2S2/c1-13-10(18)14-7(17)3-5-20-11-15-8(12)6-2-4-19-9(6)16-11/h2,4H,3,5H2,1H3,(H2,12,15,16)(H2,13,14,17,18)
InChIKeyCVPMURVYVGYEQD-UHFFFAOYSA-N
XLogP1.21
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 60728043) is 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCSc1nc(N)c2ccsc2n1.
What is the InChIKey of 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is CVPMURVYVGYEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-13-10(18)14-7(17)3-5-20-11-15-8(12)6-2-4-19-9(6)16-11/h2,4H,3,5H2,1H3,(H2,12,15,16)(H2,13,14,17,18).
What are the key properties of 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60728043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).