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

C22H17N3OS — CID 108739638

IUPACN-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccncc1
InChIInChI=1S/C22H17N3OS/c26-21(18-10-12-23-13-11-18)24-14-16-6-8-19(9-7-16)22-25-20(15-27-22)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,24,26)
InChIKeyIUBUVWYUQOFVFJ-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.80
Rot. Bonds5

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

N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 108739638) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID108739638
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccncc1
InChIInChI=1S/C22H17N3OS/c26-21(18-10-12-23-13-11-18)24-14-16-6-8-19(9-7-16)22-25-20(15-27-22)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,24,26)
InChIKeyIUBUVWYUQOFVFJ-UHFFFAOYSA-N
XLogP4.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]benzoic acid
CID 71537774
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide (CID 108739638) is N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccncc1.
What is the InChIKey of N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is IUBUVWYUQOFVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(18-10-12-23-13-11-18)24-14-16-6-8-19(9-7-16)22-25-20(15-27-22)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,24,26).
What are the key properties of N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide?
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 108739638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).