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

C21H23N5OS — CID 73443009

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3CCN(c4ccccn4)CC3)cc2)cs1
InChIInChI=1S/C21H23N5OS/c1-16-23-19(15-28-16)17-5-7-18(8-6-17)24-21(27)14-25-10-12-26(13-11-25)20-4-2-3-9-22-20/h2-9,15H,10-14H2,1H3,(H,24,27)
InChIKeyRJWDUYBGHNYPLA-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.27
Rot. Bonds5

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 73443009) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID73443009
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3CCN(c4ccccn4)CC3)cc2)cs1
InChIInChI=1S/C21H23N5OS/c1-16-23-19(15-28-16)17-5-7-18(8-6-17)24-21(27)14-25-10-12-26(13-11-25)20-4-2-3-9-22-20/h2-9,15H,10-14H2,1H3,(H,24,27)
InChIKeyRJWDUYBGHNYPLA-UHFFFAOYSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 73443009) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1nc(-c2ccc(NC(=O)CN3CCN(c4ccccn4)CC3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is RJWDUYBGHNYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-16-23-19(15-28-16)17-5-7-18(8-6-17)24-21(27)14-25-10-12-26(13-11-25)20-4-2-3-9-22-20/h2-9,15H,10-14H2,1H3,(H,24,27).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 393.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 73443009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).