5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide

C17H14Cl2N4OS — CID 11567357

IUPAC5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1
InChIInChI=1S/C17H14Cl2N4OS/c18-11-2-1-10(12(19)9-11)5-7-21-16(24)15-4-3-14(25-15)13-6-8-22-17(20)23-13/h1-4,6,8-9H,5,7H2,(H,21,24)(H2,20,22,23)
InChIKeyUZJHGGDNLWLNIC-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.07
Rot. Bonds5

About 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 11567357) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID11567357
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1
InChIInChI=1S/C17H14Cl2N4OS/c18-11-2-1-10(12(19)9-11)5-7-21-16(24)15-4-3-14(25-15)13-6-8-22-17(20)23-13/h1-4,6,8-9H,5,7H2,(H,21,24)(H2,20,22,23)
InChIKeyUZJHGGDNLWLNIC-UHFFFAOYSA-N
XLogP4.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.07
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-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide (CID 11567357) is 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is UZJHGGDNLWLNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c18-11-2-1-10(12(19)9-11)5-7-21-16(24)15-4-3-14(25-15)13-6-8-22-17(20)23-13/h1-4,6,8-9H,5,7H2,(H,21,24)(H2,20,22,23).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 393.30 g/mol, XLogP of 4.07, 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-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11567357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).