N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C15H21N3OS — CID 7208523

IUPACN-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N(CCCN(C)C)c1nc2ccc(C)cc2s1
InChIInChI=1S/C15H21N3OS/c1-11-6-7-13-14(10-11)20-15(16-13)18(12(2)19)9-5-8-17(3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFGCNYWBGEQPXGR-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7208523) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7208523
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N(CCCN(C)C)c1nc2ccc(C)cc2s1
InChIInChI=1S/C15H21N3OS/c1-11-6-7-13-14(10-11)20-15(16-13)18(12(2)19)9-5-8-17(3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFGCNYWBGEQPXGR-UHFFFAOYSA-N
XLogP2.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 7208523) is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is CC(=O)N(CCCN(C)C)c1nc2ccc(C)cc2s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FGCNYWBGEQPXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-6-7-13-14(10-11)20-15(16-13)18(12(2)19)9-5-8-17(3)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7208523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).