N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

C19H20ClN5O2S — CID 43998363

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cnccn3)nc12
InChIInChI=1S/C19H20ClN5O2S/c1-13-2-3-14(20)17-16(13)23-19(28-17)25(7-6-24-8-10-27-11-9-24)18(26)15-12-21-4-5-22-15/h2-5,12H,6-11H2,1H3
InChIKeyFLGGIMUBJMDZFM-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.03
Rot. Bonds5

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 43998363) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID43998363
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cnccn3)nc12
InChIInChI=1S/C19H20ClN5O2S/c1-13-2-3-14(20)17-16(13)23-19(28-17)25(7-6-24-8-10-27-11-9-24)18(26)15-12-21-4-5-22-15/h2-5,12H,6-11H2,1H3
InChIKeyFLGGIMUBJMDZFM-UHFFFAOYSA-N
XLogP3.03
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 43997461
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851587
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 43962456
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29138610
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900540
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583463
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 43998342
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 25319852
4-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319784
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138613
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide
CID 29073169
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715485

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide (CID 43998363) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is Cc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cnccn3)nc12.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is FLGGIMUBJMDZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S/c1-13-2-3-14(20)17-16(13)23-19(28-17)25(7-6-24-8-10-27-11-9-24)18(26)15-12-21-4-5-22-15/h2-5,12H,6-11H2,1H3.
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 43998363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).