3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

C21H20N4OS — CID 167861370

IUPAC3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c1
InChIInChI=1S/C21H20N4OS/c1-25(2)12-14-6-5-7-15(10-14)20(26)24-21-23-19(13-27-21)17-11-22-18-9-4-3-8-16(17)18/h3-11,13,22H,12H2,1-2H3,(H,23,24,26)
InChIKeyQPTOGNWVEGKVKX-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.61
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 167861370) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID167861370
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c1
InChIInChI=1S/C21H20N4OS/c1-25(2)12-14-6-5-7-15(10-14)20(26)24-21-23-19(13-27-21)17-11-22-18-9-4-3-8-16(17)18/h3-11,13,22H,12H2,1-2H3,(H,23,24,26)
InChIKeyQPTOGNWVEGKVKX-UHFFFAOYSA-N
XLogP4.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide (CID 167861370) is 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide is CN(C)Cc1cccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is QPTOGNWVEGKVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-25(2)12-14-6-5-7-15(10-14)20(26)24-21-23-19(13-27-21)17-11-22-18-9-4-3-8-16(17)18/h3-11,13,22H,12H2,1-2H3,(H,23,24,26).
What are the key properties of 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 376.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 167861370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).