N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H14N4O2S — CID 5146197

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2sccn2c1=O
InChIInChI=1S/C17H14N4O2S/c22-15(13-10-20-17-21(16(13)23)7-8-24-17)18-6-5-11-9-19-14-4-2-1-3-12(11)14/h1-4,7-10,19H,5-6H2,(H,18,22)
InChIKeyHPRDCZLFSBLFTK-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 5146197) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID5146197
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc2sccn2c1=O
InChIInChI=1S/C17H14N4O2S/c22-15(13-10-20-17-21(16(13)23)7-8-24-17)18-6-5-11-9-19-14-4-2-1-3-12(11)14/h1-4,7-10,19H,5-6H2,(H,18,22)
InChIKeyHPRDCZLFSBLFTK-UHFFFAOYSA-N
XLogP2.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 5146197) is N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnc2sccn2c1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HPRDCZLFSBLFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-15(13-10-20-17-21(16(13)23)7-8-24-17)18-6-5-11-9-19-14-4-2-1-3-12(11)14/h1-4,7-10,19H,5-6H2,(H,18,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5146197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).