2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide

C14H20N4OS — CID 173109480

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide
SMILESCc1ccc(C(N)=O)c2nc(N(C)CCN(C)C)sc12
InChIInChI=1S/C14H20N4OS/c1-9-5-6-10(13(15)19)11-12(9)20-14(16-11)18(4)8-7-17(2)3/h5-6H,7-8H2,1-4H3,(H2,15,19)
InChIKeySASLLPPWVQRUIZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.70
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide

2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide (PubChem CID 173109480) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide
PubChem CID173109480
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide
SMILESCc1ccc(C(N)=O)c2nc(N(C)CCN(C)C)sc12
InChIInChI=1S/C14H20N4OS/c1-9-5-6-10(13(15)19)11-12(9)20-14(16-11)18(4)8-7-17(2)3/h5-6H,7-8H2,1-4H3,(H2,15,19)
InChIKeySASLLPPWVQRUIZ-UHFFFAOYSA-N
XLogP1.70
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7577186
N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718747
N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 44928441
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 7510997
N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide;hydrochloride
CID 44928449
N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41046521
N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90606084
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41344580
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43961040
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 41344629
2,7-dimethyl-1,3-benzothiazole-4-carboxylic acid
CID 84675176
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,5-dimethylbenzamide
CID 7511079

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide (CID 173109480) is 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide is Cc1ccc(C(N)=O)c2nc(N(C)CCN(C)C)sc12.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide?
The InChIKey is SASLLPPWVQRUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-5-6-10(13(15)19)11-12(9)20-14(16-11)18(4)8-7-17(2)3/h5-6H,7-8H2,1-4H3,(H2,15,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide?
2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-7-methyl-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 173109480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).