N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

C19H23N5OS — CID 43965161

IUPACN-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3cnccn3)nc12
InChIInChI=1S/C19H23N5OS/c1-13-6-7-14(2)17-16(13)22-19(26-17)24(11-5-10-23(3)4)18(25)15-12-20-8-9-21-15/h6-9,12H,5,10-11H2,1-4H3
InChIKeyGSYKHVZNJPKQML-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.30
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 43965161) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
PubChem CID43965161
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
SMILESCc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3cnccn3)nc12
InChIInChI=1S/C19H23N5OS/c1-13-6-7-14(2)17-16(13)22-19(26-17)24(11-5-10-23(3)4)18(25)15-12-20-8-9-21-15/h6-9,12H,5,10-11H2,1-4H3
InChIKeyGSYKHVZNJPKQML-UHFFFAOYSA-N
XLogP3.30
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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)-N-[3-(dimethylamino)propyl]quinoxaline-2-carboxamide
CID 43965242
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide
CID 43964690
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 44932136
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 43998363
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide;hydrochloride
CID 44932137
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 43964972
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43964522
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 43964858
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 41341192
methyl 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[3-(dimethylamino)propyl]carbamoyl]benzoate
CID 43964945
N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 43964321

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide (CID 43965161) is N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is Cc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3cnccn3)nc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is GSYKHVZNJPKQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-6-7-14(2)17-16(13)22-19(26-17)24(11-5-10-23(3)4)18(25)15-12-20-8-9-21-15/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 43965161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).