N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

C13H16N4O2S2 — CID 51300576

IUPACN-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCc1nc(SCCC(=O)NC(N)=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C13H16N4O2S2/c1-6-7(2)21-12-10(6)11(15-8(3)16-12)20-5-4-9(18)17-13(14)19/h4-5H2,1-3H3,(H3,14,17,18,19)
InChIKeyXONNWUNFZFFRBT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.29
Rot. Bonds4

About N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (PubChem CID 51300576) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
PubChem CID51300576
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC NameN-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
SMILESCc1nc(SCCC(=O)NC(N)=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C13H16N4O2S2/c1-6-7(2)21-12-10(6)11(15-8(3)16-12)20-5-4-9(18)17-13(14)19/h4-5H2,1-3H3,(H3,14,17,18,19)
InChIKeyXONNWUNFZFFRBT-UHFFFAOYSA-N
XLogP2.29
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide (CID 51300576) is N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is Cc1nc(SCCC(=O)NC(N)=O)c2c(C)c(C)sc2n1.
What is the InChIKey of N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is XONNWUNFZFFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-6-7(2)21-12-10(6)11(15-8(3)16-12)20-5-4-9(18)17-13(14)19/h4-5H2,1-3H3,(H3,14,17,18,19).
What are the key properties of N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide?
N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 324.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 51300576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).