N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide

C14H21N5OS — CID 63693372

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide
SMILESCN(C)CCN(C)CC(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H21N5OS/c1-18(2)6-7-19(3)9-13(20)17-14-16-11-5-4-10(15)8-12(11)21-14/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17,20)
InChIKeyKXMULTYXSGGRIY-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.31
Rot. Bonds6

About N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide (PubChem CID 63693372) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide
PubChem CID63693372
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide
SMILESCN(C)CCN(C)CC(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H21N5OS/c1-18(2)6-7-19(3)9-13(20)17-14-16-11-5-4-10(15)8-12(11)21-14/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17,20)
InChIKeyKXMULTYXSGGRIY-UHFFFAOYSA-N
XLogP1.31
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]acetamide
CID 43270858
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-3-[2-cyanoethyl(methyl)amino]propanamide
CID 28527172
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 78826947
N-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropanamide
CID 29295136
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960374
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 86911557
N-(6-amino-1,3-benzothiazol-2-yl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272521
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161486

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide (CID 63693372) is N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide is CN(C)CCN(C)CC(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
The InChIKey is KXMULTYXSGGRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-18(2)6-7-19(3)9-13(20)17-14-16-11-5-4-10(15)8-12(11)21-14/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide is sourced from PubChem (CID 63693372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).