N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide

C22H26N4OS — CID 46966362

IUPACN-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)Cc2cccnc2)s1
InChIInChI=1S/C22H26N4OS/c1-17-24-22(19-9-5-4-6-10-19)20(28-17)14-21(27)26(13-12-25(2)3)16-18-8-7-11-23-15-18/h4-11,15H,12-14,16H2,1-3H3
InChIKeyXLZITBDGERSUEE-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide

N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 46966362) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID46966362
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)Cc2cccnc2)s1
InChIInChI=1S/C22H26N4OS/c1-17-24-22(19-9-5-4-6-10-19)20(28-17)14-21(27)26(13-12-25(2)3)16-18-8-7-11-23-15-18/h4-11,15H,12-14,16H2,1-3H3
InChIKeyXLZITBDGERSUEE-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 46966362) is N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)Cc2cccnc2)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XLZITBDGERSUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-17-24-22(19-9-5-4-6-10-19)20(28-17)14-21(27)26(13-12-25(2)3)16-18-8-7-11-23-15-18/h4-11,15H,12-14,16H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 394.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 46966362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).