N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide

C20H15N3OS — CID 974236

IUPACN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1
InChIInChI=1S/C20H15N3OS/c24-19(16-4-3-11-21-13-16)22-12-14-7-9-15(10-8-14)20-23-17-5-1-2-6-18(17)25-20/h1-11,13H,12H2,(H,22,24)
InChIKeyRLPNGXJXLYEYAS-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.29
Rot. Bonds4

About N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 974236) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID974236
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1
InChIInChI=1S/C20H15N3OS/c24-19(16-4-3-11-21-13-16)22-12-14-7-9-15(10-8-14)20-23-17-5-1-2-6-18(17)25-20/h1-11,13H,12H2,(H,22,24)
InChIKeyRLPNGXJXLYEYAS-UHFFFAOYSA-N
XLogP4.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methylbenzamide
CID 3439806
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 2219076
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-chloronaphthalene-1-carboxamide
CID 3915193
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 3935522
5-(1,3-benzothiazol-2-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 46466509
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]pyridine-3-carboxamide
CID 1207600
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide (CID 974236) is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1.
What is the InChIKey of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is RLPNGXJXLYEYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-19(16-4-3-11-21-13-16)22-12-14-7-9-15(10-8-14)20-23-17-5-1-2-6-18(17)25-20/h1-11,13H,12H2,(H,22,24).
What are the key properties of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide?
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 974236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).