N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

C23H27N3OS — CID 54586543

IUPACN-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-3-26(4-2)17-11-16-24-22(27)21-20(18-12-7-5-8-13-18)25-23(28-21)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,24,27)
InChIKeyXIEYBIZSABYVGD-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.94
Rot. Bonds9

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

N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 54586543) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID54586543
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H27N3OS/c1-3-26(4-2)17-11-16-24-22(27)21-20(18-12-7-5-8-13-18)25-23(28-21)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,24,27)
InChIKeyXIEYBIZSABYVGD-UHFFFAOYSA-N
XLogP4.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 54586543) is N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is CCN(CC)CCCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XIEYBIZSABYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-3-26(4-2)17-11-16-24-22(27)21-20(18-12-7-5-8-13-18)25-23(28-21)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 393.56 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54586543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).