2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide

C21H23N3O2S — CID 74248148

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc(C)c(CC(=O)N(Cc2ccncc2)CC(O)c2ccccc2)s1
InChIInChI=1S/C21H23N3O2S/c1-15-20(27-16(2)23-15)12-21(26)24(13-17-8-10-22-11-9-17)14-19(25)18-6-4-3-5-7-18/h3-11,19,25H,12-14H2,1-2H3
InChIKeyUDQKZTGTMOKZJT-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.46
Rot. Bonds7

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 74248148) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID74248148
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc(C)c(CC(=O)N(Cc2ccncc2)CC(O)c2ccccc2)s1
InChIInChI=1S/C21H23N3O2S/c1-15-20(27-16(2)23-15)12-21(26)24(13-17-8-10-22-11-9-17)14-19(25)18-6-4-3-5-7-18/h3-11,19,25H,12-14H2,1-2H3
InChIKeyUDQKZTGTMOKZJT-UHFFFAOYSA-N
XLogP3.46
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 74248148) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide is Cc1nc(C)c(CC(=O)N(Cc2ccncc2)CC(O)c2ccccc2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is UDQKZTGTMOKZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-20(27-16(2)23-15)12-21(26)24(13-17-8-10-22-11-9-17)14-19(25)18-6-4-3-5-7-18/h3-11,19,25H,12-14H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-hydroxy-2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 74248148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).