N-thiophen-2-ylpyrimidine-5-carboxamide

C9H7N3OS — CID 57469842

IUPACN-thiophen-2-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1cccs1)c1cncnc1
InChIInChI=1S/C9H7N3OS/c13-9(7-4-10-6-11-5-7)12-8-2-1-3-14-8/h1-6H,(H,12,13)
InChIKeyQDRZRYQUDDXFDE-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.79
Rot. Bonds2

About N-thiophen-2-ylpyrimidine-5-carboxamide

N-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 57469842) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is N-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID57469842
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC NameN-thiophen-2-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1cccs1)c1cncnc1
InChIInChI=1S/C9H7N3OS/c13-9(7-4-10-6-11-5-7)12-8-2-1-3-14-8/h1-6H,(H,12,13)
InChIKeyQDRZRYQUDDXFDE-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-thiophen-2-ylpyrimidine-5-carboxamide (CID 57469842) is N-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-thiophen-2-ylpyrimidine-5-carboxamide is O=C(Nc1cccs1)c1cncnc1.
What is the InChIKey of N-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is QDRZRYQUDDXFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c13-9(7-4-10-6-11-5-7)12-8-2-1-3-14-8/h1-6H,(H,12,13).
What are the key properties of N-thiophen-2-ylpyrimidine-5-carboxamide?
N-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 205.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 57469842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).