4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide

C12H13N3OS — CID 2463677

IUPAC4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c1-15(2)10-5-3-9(4-6-10)11(16)14-12-13-7-8-17-12/h3-8H,1-2H3,(H,13,14,16)
InChIKeyRGXFQNTVZRGDNG-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.46
Rot. Bonds3

About 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide

4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2463677) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2463677
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c1-15(2)10-5-3-9(4-6-10)11(16)14-12-13-7-8-17-12/h3-8H,1-2H3,(H,13,14,16)
InChIKeyRGXFQNTVZRGDNG-UHFFFAOYSA-N
XLogP2.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 2463677) is 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide is CN(C)c1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is RGXFQNTVZRGDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15(2)10-5-3-9(4-6-10)11(16)14-12-13-7-8-17-12/h3-8H,1-2H3,(H,13,14,16).
What are the key properties of 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide?
4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 247.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).