N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

C20H21N3OS — CID 9076381

IUPACN-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-23(2)14-13-21-19(24)18-17(15-9-5-3-6-10-15)22-20(25-18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyKPUGYAXFXIALMU-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 9076381) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID9076381
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-23(2)14-13-21-19(24)18-17(15-9-5-3-6-10-15)22-20(25-18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyKPUGYAXFXIALMU-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 9076381) is N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is CN(C)CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KPUGYAXFXIALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-23(2)14-13-21-19(24)18-17(15-9-5-3-6-10-15)22-20(25-18)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9076381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).