2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide

C21H17N3OS — CID 108749285

IUPAC2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C21H17N3OS/c25-20(12-17-6-3-5-15-4-1-2-7-19(15)17)23-13-18-14-26-21(24-18)16-8-10-22-11-9-16/h1-11,14H,12-13H2,(H,23,25)
InChIKeyYQCDZCTWAHOTMW-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.22
Rot. Bonds5

About 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide

2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 108749285) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID108749285
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C21H17N3OS/c25-20(12-17-6-3-5-15-4-1-2-7-19(15)17)23-13-18-14-26-21(24-18)16-8-10-22-11-9-16/h1-11,14H,12-13H2,(H,23,25)
InChIKeyYQCDZCTWAHOTMW-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 90124709
5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749242
2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 39084342
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749201
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
2-(4-bromophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749094
3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108811093
1-phenyl-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784372

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 108749285) is 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide is O=C(Cc1cccc2ccccc12)NCc1csc(-c2ccncc2)n1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is YQCDZCTWAHOTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c25-20(12-17-6-3-5-15-4-1-2-7-19(15)17)23-13-18-14-26-21(24-18)16-8-10-22-11-9-16/h1-11,14H,12-13H2,(H,23,25).
What are the key properties of 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 108749285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).