N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

C20H25N5O2S — CID 43962105

IUPACN-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3cnccn3)nc12
InChIInChI=1S/C20H25N5O2S/c1-4-24(5-2)12-13-25(19(26)15-14-21-10-11-22-15)20-23-18-16(27-6-3)8-7-9-17(18)28-20/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyIOJCURPNMVZGCX-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.47
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 43962105) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID43962105
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3cnccn3)nc12
InChIInChI=1S/C20H25N5O2S/c1-4-24(5-2)12-13-25(19(26)15-14-21-10-11-22-15)20-23-18-16(27-6-3)8-7-9-17(18)28-20/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyIOJCURPNMVZGCX-UHFFFAOYSA-N
XLogP3.47
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41345519
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide;hydrochloride
CID 16798965
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43962103
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959733
5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41345533
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 43959764
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 43962794
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 43960859
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide chloride
CID 53351275
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide;hydrochloride
CID 45284101
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 43961403
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 44927530

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 43962105) is N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3cnccn3)nc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is IOJCURPNMVZGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-4-24(5-2)12-13-25(19(26)15-14-21-10-11-22-15)20-23-18-16(27-6-3)8-7-9-17(18)28-20/h7-11,14H,4-6,12-13H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 43962105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).