N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

C18H12FN5OS — CID 43987137

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C18H12FN5OS/c19-12-4-5-14-16(9-12)26-18(23-14)24(11-13-3-1-2-6-21-13)17(25)15-10-20-7-8-22-15/h1-10H,11H2
InChIKeySWHBOYHRXXRJIY-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.47
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 43987137) has the molecular formula C18H12FN5OS and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID43987137
Molecular FormulaC18H12FN5OS
Molecular Weight365.39 g/mol
Exact Mass365.07
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C18H12FN5OS/c19-12-4-5-14-16(9-12)26-18(23-14)24(11-13-3-1-2-6-21-13)17(25)15-10-20-7-8-22-15/h1-10H,11H2
InChIKeySWHBOYHRXXRJIY-UHFFFAOYSA-N
XLogP3.47
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43986969
2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986383
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 43986434
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056036
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987585
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986876
N-(1,3-benzothiazol-2-yl)-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 18576650
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 16830219
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987529
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 71962490
2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41342727
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 43987124

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (CID 43987137) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is O=C(c1cnccn1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is SWHBOYHRXXRJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5OS/c19-12-4-5-14-16(9-12)26-18(23-14)24(11-13-3-1-2-6-21-13)17(25)15-10-20-7-8-22-15/h1-10H,11H2.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 43987137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).