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

C18H13N5OS — CID 43986969

IUPACN-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C18H13N5OS/c24-17(15-11-19-9-10-21-15)23(12-13-5-3-4-8-20-13)18-22-14-6-1-2-7-16(14)25-18/h1-11H,12H2
InChIKeyCDJLBWHUVMDDNQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.33
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 43986969) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID43986969
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(Cc1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C18H13N5OS/c24-17(15-11-19-9-10-21-15)23(12-13-5-3-4-8-20-13)18-22-14-6-1-2-7-16(14)25-18/h1-11H,12H2
InChIKeyCDJLBWHUVMDDNQ-UHFFFAOYSA-N
XLogP3.33
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987137
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987585
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987529
N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 43986955
N-(1,3-benzothiazol-2-yl)-4-bromo-N-(pyridin-2-ylmethyl)benzamide
CID 41004756
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 43985949
N-(1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 18576672
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 41004764
N-(1,3-benzothiazol-2-yl)-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 18576650
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40512387
N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18576666
N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 41149119

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (CID 43986969) is N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is O=C(c1cnccn1)N(Cc1ccccn1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is CDJLBWHUVMDDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(15-11-19-9-10-21-15)23(12-13-5-3-4-8-20-13)18-22-14-6-1-2-7-16(14)25-18/h1-11H,12H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 43986969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).