5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide

C17H15ClN4OS — CID 11544969

IUPAC5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCCc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C17H15ClN4OS/c18-12-3-1-2-11(10-12)6-8-20-16(23)15-5-4-14(24-15)13-7-9-21-17(19)22-13/h1-5,7,9-10H,6,8H2,(H,20,23)(H2,19,21,22)
InChIKeyAWDIZMAZPSUOPG-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.41
Rot. Bonds5

About 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 11544969) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID11544969
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCCc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C17H15ClN4OS/c18-12-3-1-2-11(10-12)6-8-20-16(23)15-5-4-14(24-15)13-7-9-21-17(19)22-13/h1-5,7,9-10H,6,8H2,(H,20,23)(H2,19,21,22)
InChIKeyAWDIZMAZPSUOPG-UHFFFAOYSA-N
XLogP3.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide (CID 11544969) is 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)NCCc3cccc(Cl)c3)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is AWDIZMAZPSUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-12-3-1-2-11(10-12)6-8-20-16(23)15-5-4-14(24-15)13-7-9-21-17(19)22-13/h1-5,7,9-10H,6,8H2,(H,20,23)(H2,19,21,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11544969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).