N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

C17H19N5O2S — CID 43961808

IUPACN-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccc2nc(N(CCN(C)C)C(=O)c3cnccn3)sc2c1
InChIInChI=1S/C17H19N5O2S/c1-21(2)8-9-22(16(23)14-11-18-6-7-19-14)17-20-13-5-4-12(24-3)10-15(13)25-17/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZFIOCZXPHVENEX-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 43961808) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID43961808
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCOc1ccc2nc(N(CCN(C)C)C(=O)c3cnccn3)sc2c1
InChIInChI=1S/C17H19N5O2S/c1-21(2)8-9-22(16(23)14-11-18-6-7-19-14)17-20-13-5-4-12(24-3)10-15(13)25-17/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZFIOCZXPHVENEX-UHFFFAOYSA-N
XLogP2.30
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 43964972
N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 16847852
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507379
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7507317
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507384
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 18563726
N-[2-(dimethylamino)ethyl]-2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44922999
N-[2-(dimethylamino)ethyl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507382
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507331
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide;hydrochloride
CID 44922996
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987585
methyl 4-[3-(dimethylamino)propyl-(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43963488

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 43961808) is N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is COc1ccc2nc(N(CCN(C)C)C(=O)c3cnccn3)sc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is ZFIOCZXPHVENEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-21(2)8-9-22(16(23)14-11-18-6-7-19-14)17-20-13-5-4-12(24-3)10-15(13)25-17/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 43961808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).