(2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide

C13H16N4O2S2 — CID 41113444

IUPAC(2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCCc1cc2c(S[C@H](C)C(=O)NC(=O)NC)ncnc2s1
InChIInChI=1S/C13H16N4O2S2/c1-4-8-5-9-11(15-6-16-12(9)21-8)20-7(2)10(18)17-13(19)14-3/h5-7H,4H2,1-3H3,(H2,14,17,18,19)/t7-/m1/s1
InChIKeyJNXDLLUJSFWBAL-SSDOTTSWSA-N
MW324.43 g/mol
LogP2.19
Rot. Bonds4

About (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide

(2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 41113444) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID41113444
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name(2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCCc1cc2c(S[C@H](C)C(=O)NC(=O)NC)ncnc2s1
InChIInChI=1S/C13H16N4O2S2/c1-4-8-5-9-11(15-6-16-12(9)21-8)20-7(2)10(18)17-13(19)14-3/h5-7H,4H2,1-3H3,(H2,14,17,18,19)/t7-/m1/s1
InChIKeyJNXDLLUJSFWBAL-SSDOTTSWSA-N
XLogP2.19
TPSA83.98 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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide
CID 7886380
N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9265700
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9440058
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8570411
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
CID 79561759
1-(4-chlorophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 696855
N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 8521680
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione
CID 4826571
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentanenitrile
CID 9114655

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 41113444) is (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide is CCc1cc2c(S[C@H](C)C(=O)NC(=O)NC)ncnc2s1.
What is the InChIKey of (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is JNXDLLUJSFWBAL-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-4-8-5-9-11(15-6-16-12(9)21-8)20-7(2)10(18)17-13(19)14-3/h5-7H,4H2,1-3H3,(H2,14,17,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide?
(2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 324.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 41113444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).