N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide

C19H20N4O2S — CID 59468612

IUPACN-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide
SMILESCCNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1
InChIInChI=1S/C19H20N4O2S/c1-3-20-18(25)14-10-17(26-11-14)16-7-8-21-19(23-16)22-15-6-4-5-13(9-15)12(2)24/h4-12,24H,3H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyAYUOIVICFGTKQZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.75
Rot. Bonds6

About N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide

N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide (PubChem CID 59468612) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide
PubChem CID59468612
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide
SMILESCCNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1
InChIInChI=1S/C19H20N4O2S/c1-3-20-18(25)14-10-17(26-11-14)16-7-8-21-19(23-16)22-15-6-4-5-13(9-15)12(2)24/h4-12,24H,3H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyAYUOIVICFGTKQZ-UHFFFAOYSA-N
XLogP3.75
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide (CID 59468612) is N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide is CCNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.
What is the InChIKey of N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide?
The InChIKey is AYUOIVICFGTKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-20-18(25)14-10-17(26-11-14)16-7-8-21-19(23-16)22-15-6-4-5-13(9-15)12(2)24/h4-12,24H,3H2,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide?
N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 59468612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).