4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C16H19N3OS — CID 746147

IUPAC4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H19N3OS/c1-19(2)12-9-7-11(8-10-12)15(20)18-16-17-13-5-3-4-6-14(13)21-16/h7-10H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyZVKWKVBRZGMCEC-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.34
Rot. Bonds3

About 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 746147) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID746147
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H19N3OS/c1-19(2)12-9-7-11(8-10-12)15(20)18-16-17-13-5-3-4-6-14(13)21-16/h7-10H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyZVKWKVBRZGMCEC-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-(4-methylthiazol-2-yl)benzamide
CID 695178
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
(2-Amino-benzothiazol-6-yl)-piperidin-1-yl-methanone
CID 769187

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 746147) is 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is CN(C)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZVKWKVBRZGMCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(2)12-9-7-11(8-10-12)15(20)18-16-17-13-5-3-4-6-14(13)21-16/h7-10H,3-6H2,1-2H3,(H,17,18,20).
What are the key properties of 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 746147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).