N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide

C14H11N3OS — CID 110700628

IUPACN-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3ccccc3s2)ccn1
InChIInChI=1S/C14H11N3OS/c1-9-8-10(6-7-15-9)16-13(18)14-17-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,15,16,18)
InChIKeyKXMXKGQVRHNCHQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.25
Rot. Bonds2

About N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide

N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 110700628) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
PubChem CID110700628
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
SMILESCc1cc(NC(=O)c2nc3ccccc3s2)ccn1
InChIInChI=1S/C14H11N3OS/c1-9-8-10(6-7-15-9)16-13(18)14-17-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,15,16,18)
InChIKeyKXMXKGQVRHNCHQ-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 18585512
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122317189
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122297707
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 5240847
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122287569
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide (CID 110700628) is N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide is Cc1cc(NC(=O)c2nc3ccccc3s2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is KXMXKGQVRHNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9-8-10(6-7-15-9)16-13(18)14-17-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,15,16,18).
What are the key properties of N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide?
N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 110700628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).