2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C18H21N3O2S2 — CID 655563

IUPAC2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1sc2nc(C(C)C)nc(SCC(=O)NCc3ccco3)c2c1C
InChIInChI=1S/C18H21N3O2S2/c1-10(2)16-20-17(15-11(3)12(4)25-18(15)21-16)24-9-14(22)19-8-13-6-5-7-23-13/h5-7,10H,8-9H2,1-4H3,(H,19,22)
InChIKeyWAHPJBAGIMUMAI-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.43
Rot. Bonds6

About 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 655563) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID655563
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1sc2nc(C(C)C)nc(SCC(=O)NCc3ccco3)c2c1C
InChIInChI=1S/C18H21N3O2S2/c1-10(2)16-20-17(15-11(3)12(4)25-18(15)21-16)24-9-14(22)19-8-13-6-5-7-23-13/h5-7,10H,8-9H2,1-4H3,(H,19,22)
InChIKeyWAHPJBAGIMUMAI-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 655563) is 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1sc2nc(C(C)C)nc(SCC(=O)NCc3ccco3)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WAHPJBAGIMUMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-10(2)16-20-17(15-11(3)12(4)25-18(15)21-16)24-9-14(22)19-8-13-6-5-7-23-13/h5-7,10H,8-9H2,1-4H3,(H,19,22).
What are the key properties of 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 655563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).