N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide

C15H16N4O3S — CID 53335961

IUPACN-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCC1CCCO1)c1cnccn1
InChIInChI=1S/C15H16N4O3S/c20-14(12-9-16-4-5-17-12)19-11-3-7-23-13(11)15(21)18-8-10-2-1-6-22-10/h3-5,7,9-10H,1-2,6,8H2,(H,18,21)(H,19,20)
InChIKeyYRHQIHXLBZZJQD-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.70
Rot. Bonds5

About N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide

N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53335961) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53335961
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC NameN-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NCC1CCCO1)c1cnccn1
InChIInChI=1S/C15H16N4O3S/c20-14(12-9-16-4-5-17-12)19-11-3-7-23-13(11)15(21)18-8-10-2-1-6-22-10/h3-5,7,9-10H,1-2,6,8H2,(H,18,21)(H,19,20)
InChIKeyYRHQIHXLBZZJQD-UHFFFAOYSA-N
XLogP1.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazine-2-carboxamide
CID 42888792
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
N-[2-[3-(diethylamino)propylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335960
2-(oxolan-2-yl)-1-pyrazin-2-ylethanone
CID 62621906
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide (CID 53335961) is N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide is O=C(Nc1ccsc1C(=O)NCC1CCCO1)c1cnccn1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is YRHQIHXLBZZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-14(12-9-16-4-5-17-12)19-11-3-7-23-13(11)15(21)18-8-10-2-1-6-22-10/h3-5,7,9-10H,1-2,6,8H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53335961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).