N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide

C18H11Cl2N3OS2 — CID 43985949

IUPACN-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(Cc1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C18H11Cl2N3OS2/c19-15-9-12(16(20)26-15)17(24)23(10-11-5-3-4-8-21-11)18-22-13-6-1-2-7-14(13)25-18/h1-9H,10H2
InChIKeyABHFIPLMAZAYBD-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.91
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide

N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 43985949) has the molecular formula C18H11Cl2N3OS2 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
PubChem CID43985949
Molecular FormulaC18H11Cl2N3OS2
Molecular Weight420.35 g/mol
Exact Mass418.97
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(Cc1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C18H11Cl2N3OS2/c19-15-9-12(16(20)26-15)17(24)23(10-11-5-3-4-8-21-11)18-22-13-6-1-2-7-14(13)25-18/h1-9H,10H2
InChIKeyABHFIPLMAZAYBD-UHFFFAOYSA-N
XLogP5.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 41004764
N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 43985956
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40512387
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)-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 18576650
N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43986969
N-(1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 18576672
2,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055700
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055982
2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986383
5-bromo-2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986481

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide (CID 43985949) is N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide is O=C(c1cc(Cl)sc1Cl)N(Cc1ccccn1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is ABHFIPLMAZAYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3OS2/c19-15-9-12(16(20)26-15)17(24)23(10-11-5-3-4-8-21-11)18-22-13-6-1-2-7-14(13)25-18/h1-9H,10H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 420.35 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 43985949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).