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

C18H16ClN3OS — CID 86907201

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3OS/c1-22(11-13-5-4-8-20-10-13)17(23)9-14-12-24-18(21-14)15-6-2-3-7-16(15)19/h2-8,10,12H,9,11H2,1H3
InChIKeyOFQWRXQSBPVTEY-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.06
Rot. Bonds5

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 86907201) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID86907201
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3OS/c1-22(11-13-5-4-8-20-10-13)17(23)9-14-12-24-18(21-14)15-6-2-3-7-16(15)19/h2-8,10,12H,9,11H2,1H3
InChIKeyOFQWRXQSBPVTEY-UHFFFAOYSA-N
XLogP4.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39966421
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 25343258
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 51206974
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 51207321
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 31641686
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119442632
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 86907201) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OFQWRXQSBPVTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-22(11-13-5-4-8-20-10-13)17(23)9-14-12-24-18(21-14)15-6-2-3-7-16(15)19/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 357.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 86907201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).