N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide

C19H14N4OS — CID 24759889

IUPACN-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1ccncc1
InChIInChI=1S/C19H14N4OS/c24-18(13-9-11-20-12-10-13)22-15-7-4-8-16-17(15)23-19(25-16)21-14-5-2-1-3-6-14/h1-12H,(H,21,23)(H,22,24)
InChIKeyXYGAFVMJWRZAPZ-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.69
Rot. Bonds4

About N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide

N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide (PubChem CID 24759889) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
PubChem CID24759889
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1ccncc1
InChIInChI=1S/C19H14N4OS/c24-18(13-9-11-20-12-10-13)22-15-7-4-8-16-17(15)23-19(25-16)21-14-5-2-1-3-6-14/h1-12H,(H,21,23)(H,22,24)
InChIKeyXYGAFVMJWRZAPZ-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide
CID 24760990
N-(2-anilino-1,3-benzothiazol-4-yl)-3,5-dimethylbenzamide
CID 24759968
N-(2-anilino-1,3-benzothiazol-4-yl)-4-chloro-2-iodo-6-methylbenzamide
CID 89226752
N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide
CID 24760169
N-(2-anilino-1,3-benzothiazol-4-yl)-2-(3,5-difluorophenyl)acetamide
CID 24759814
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
N-(4-cyano-1,3-benzothiazol-2-yl)benzamide
CID 134128549
N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide
CID 87967858
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide (CID 24759889) is N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide is O=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1ccncc1.
What is the InChIKey of N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
The InChIKey is XYGAFVMJWRZAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18(13-9-11-20-12-10-13)22-15-7-4-8-16-17(15)23-19(25-16)21-14-5-2-1-3-6-14/h1-12H,(H,21,23)(H,22,24).
What are the key properties of N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide?
N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 24759889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).