4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen

C21H25N3O2S — CID 144822336

IUPAC4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1.[H][H].[H][H]
InChIInChI=1S/C21H21N3O2S.2H2/c1-13(2)19-18(15-7-5-4-6-8-15)23-21(27-19)24-20(26)16-9-11-17(12-10-16)22-14(3)25;;/h4-13H,1-3H3,(H,22,25)(H,23,24,26);2*1H
InChIKeyTVDLYXISOBDJKD-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.64
Rot. Bonds5

About 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen

4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen (PubChem CID 144822336) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
PubChem CID144822336
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1.[H][H].[H][H]
InChIInChI=1S/C21H21N3O2S.2H2/c1-13(2)19-18(15-7-5-4-6-8-15)23-21(27-19)24-20(26)16-9-11-17(12-10-16)22-14(3)25;;/h4-13H,1-3H3,(H,22,25)(H,23,24,26);2*1H
InChIKeyTVDLYXISOBDJKD-UHFFFAOYSA-N
XLogP5.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
The IUPAC name of 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen (CID 144822336) is 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen.
What is the SMILES notation for 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
The canonical SMILES for 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1.[H][H].[H][H].
What is the InChIKey of 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
The InChIKey is TVDLYXISOBDJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S.2H2/c1-13(2)19-18(15-7-5-4-6-8-15)23-21(27-19)24-20(26)16-9-11-17(12-10-16)22-14(3)25;;/h4-13H,1-3H3,(H,22,25)(H,23,24,26);2*1H.
What are the key properties of 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen has a molecular weight of 383.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen is sourced from PubChem (CID 144822336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).