N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide

C15H12N4OS — CID 87967858

IUPACN-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide
SMILESO=C(Nc1csc(Nc2ccncc2)n1)c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14(11-4-2-1-3-5-11)18-13-10-21-15(19-13)17-12-6-8-16-9-7-12/h1-10H,(H,18,20)(H,16,17,19)
InChIKeyPLPYFZMLJPSHRL-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide

N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide (PubChem CID 87967858) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide
PubChem CID87967858
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide
SMILESO=C(Nc1csc(Nc2ccncc2)n1)c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14(11-4-2-1-3-5-11)18-13-10-21-15(19-13)17-12-6-8-16-9-7-12/h1-10H,(H,18,20)(H,16,17,19)
InChIKeyPLPYFZMLJPSHRL-UHFFFAOYSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
CID 88898768
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117088609
N-(2-anilino-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
CID 24759889
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11653665
N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide
CID 175848692
N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide
CID 174923780
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide?
The IUPAC name of N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide (CID 87967858) is N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide is O=C(Nc1csc(Nc2ccncc2)n1)c1ccccc1.
What is the InChIKey of N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide?
The InChIKey is PLPYFZMLJPSHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14(11-4-2-1-3-5-11)18-13-10-21-15(19-13)17-12-6-8-16-9-7-12/h1-10H,(H,18,20)(H,16,17,19).
What are the key properties of N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide?
N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 87967858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).