N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide

C11H11N3OS — CID 170939358

IUPACN-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1ncccn1
InChIInChI=1S/C11H11N3OS/c15-11(10-12-4-1-5-13-10)14-6-2-9-3-7-16-8-9/h1,3-5,7-8H,2,6H2,(H,14,15)
InChIKeyXYWROKUXEZRABI-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.51
Rot. Bonds4

About N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide

N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide (PubChem CID 170939358) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
PubChem CID170939358
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1ncccn1
InChIInChI=1S/C11H11N3OS/c15-11(10-12-4-1-5-13-10)14-6-2-9-3-7-16-8-9/h1,3-5,7-8H,2,6H2,(H,14,15)
InChIKeyXYWROKUXEZRABI-UHFFFAOYSA-N
XLogP1.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydrazinyl-N-(2-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62249508
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
N-(2-pyridin-2-ylethyl)-2-thiophen-3-ylacetamide
CID 32623668
1-chloro-N-(2-thiophen-3-ylethyl)isoquinoline-4-carboxamide
CID 106766100
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 114244362
6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide
CID 114040347
N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 122152494
3-hydrazinyl-N-(2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 105071885
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
6-(ethylamino)-N-(2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62176103

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide?
The IUPAC name of N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide (CID 170939358) is N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide is O=C(NCCc1ccsc1)c1ncccn1.
What is the InChIKey of N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide?
The InChIKey is XYWROKUXEZRABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-11(10-12-4-1-5-13-10)14-6-2-9-3-7-16-8-9/h1,3-5,7-8H,2,6H2,(H,14,15).
What are the key properties of N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide?
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 170939358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).