N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C16H17N5O3S — CID 20942876

IUPACN-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCc1ccco1)c1cnc2sc(N3CCCC3)nn2c1=O
InChIInChI=1S/C16H17N5O3S/c22-13(17-6-5-11-4-3-9-24-11)12-10-18-15-21(14(12)23)19-16(25-15)20-7-1-2-8-20/h3-4,9-10H,1-2,5-8H2,(H,17,22)
InChIKeyLRFIHYZLWIWNNJ-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942876) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942876
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCc1ccco1)c1cnc2sc(N3CCCC3)nn2c1=O
InChIInChI=1S/C16H17N5O3S/c22-13(17-6-5-11-4-3-9-24-11)12-10-18-15-21(14(12)23)19-16(25-15)20-7-1-2-8-20/h3-4,9-10H,1-2,5-8H2,(H,17,22)
InChIKeyLRFIHYZLWIWNNJ-UHFFFAOYSA-N
XLogP1.32
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942683
N-(furan-2-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724271
2-morpholin-4-yl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942810
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942852
2-[(3S)-3-methylpiperidin-1-yl]-5-oxo-N-(2-phenylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724296
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942899
N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942796
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942768
N-[(3-methoxyphenyl)methyl]-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942673
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338047
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338030
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338029

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942876) is N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCc1ccco1)c1cnc2sc(N3CCCC3)nn2c1=O.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LRFIHYZLWIWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c22-13(17-6-5-11-4-3-9-24-11)12-10-18-15-21(14(12)23)19-16(25-15)20-7-1-2-8-20/h3-4,9-10H,1-2,5-8H2,(H,17,22).
What are the key properties of N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).