4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide

C17H17N3O2S — CID 11716861

IUPAC4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1
InChIInChI=1S/C17H17N3O2S/c1-20(2)13-6-3-11(4-7-13)17(22)18-12-5-8-15-14(9-12)19-16(10-21)23-15/h3-9,21H,10H2,1-2H3,(H,18,22)
InChIKeyVKZJWYZDZABTBG-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.11
Rot. Bonds4

About 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide

4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide (PubChem CID 11716861) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
PubChem CID11716861
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1
InChIInChI=1S/C17H17N3O2S/c1-20(2)13-6-3-11(4-7-13)17(22)18-12-5-8-15-14(9-12)19-16(10-21)23-15/h3-9,21H,10H2,1-2H3,(H,18,22)
InChIKeyVKZJWYZDZABTBG-UHFFFAOYSA-N
XLogP3.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitrobenzamide
CID 11502581
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide
CID 69322169
N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide
CID 123507745
2-(acetamidomethyl)-4-bromo-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
CID 69322206
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-(dimethylamino)-N-(3-hydroxyphenyl)benzamide
CID 28739881
4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 3518335
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 70682776
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide (CID 11716861) is 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
The InChIKey is VKZJWYZDZABTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20(2)13-6-3-11(4-7-13)17(22)18-12-5-8-15-14(9-12)19-16(10-21)23-15/h3-9,21H,10H2,1-2H3,(H,18,22).
What are the key properties of 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide has a molecular weight of 327.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide is sourced from PubChem (CID 11716861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).