2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C21H21ClN4OS — CID 133359105

IUPAC2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19(20(23)27)25-10-12-26(13-11-25)21-24-14-18(28-21)15-4-2-1-3-5-15/h1-9,14,19H,10-13H2,(H2,23,27)
InChIKeyMTZLHPZSTMLSPO-UHFFFAOYSA-N
MW412.95 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide

2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 133359105) has the molecular formula C21H21ClN4OS and a molecular weight of 412.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID133359105
Molecular FormulaC21H21ClN4OS
Molecular Weight412.95 g/mol
Exact Mass412.11
IUPAC Name2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ncc(-c3ccccc3)s2)CC1
InChIInChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19(20(23)27)25-10-12-26(13-11-25)21-24-14-18(28-21)15-4-2-1-3-5-15/h1-9,14,19H,10-13H2,(H2,23,27)
InChIKeyMTZLHPZSTMLSPO-UHFFFAOYSA-N
XLogP3.81
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 133359105) is 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is NC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ncc(-c3ccccc3)s2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is MTZLHPZSTMLSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19(20(23)27)25-10-12-26(13-11-25)21-24-14-18(28-21)15-4-2-1-3-5-15/h1-9,14,19H,10-13H2,(H2,23,27).
What are the key properties of 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 412.95 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133359105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).