2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

C17H14N4O2S2 — CID 162626281

IUPAC2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCn1cc(SCC(=O)Nc2cnc3sccn3c2=O)c2ccccc21
InChIInChI=1S/C17H14N4O2S2/c1-20-9-14(11-4-2-3-5-13(11)20)25-10-15(22)19-12-8-18-17-21(16(12)23)6-7-24-17/h2-9H,10H2,1H3,(H,19,22)
InChIKeyKHPSBJQEDNVMKH-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.98
Rot. Bonds4

About 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 162626281) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID162626281
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCn1cc(SCC(=O)Nc2cnc3sccn3c2=O)c2ccccc21
InChIInChI=1S/C17H14N4O2S2/c1-20-9-14(11-4-2-3-5-13(11)20)25-10-15(22)19-12-8-18-17-21(16(12)23)6-7-24-17/h2-9H,10H2,1H3,(H,19,22)
InChIKeyKHPSBJQEDNVMKH-UHFFFAOYSA-N
XLogP2.98
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 162626281) is 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is Cn1cc(SCC(=O)Nc2cnc3sccn3c2=O)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is KHPSBJQEDNVMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-20-9-14(11-4-2-3-5-13(11)20)25-10-15(22)19-12-8-18-17-21(16(12)23)6-7-24-17/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 162626281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).