N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

C21H21ClN4OS — CID 7339737

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23-19)24-20(27)14-25-10-12-26(13-11-25)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H,23,24,27)
InChIKeySBQULYAOKIYAGS-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.22
Rot. Bonds5

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 7339737) has the molecular formula C21H21ClN4OS and a molecular weight of 412.95 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID7339737
Molecular FormulaC21H21ClN4OS
Molecular Weight412.95 g/mol
Exact Mass412.11
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23-19)24-20(27)14-25-10-12-26(13-11-25)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H,23,24,27)
InChIKeySBQULYAOKIYAGS-UHFFFAOYSA-N
XLogP4.22
TPSA48.47 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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 7339737) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is SBQULYAOKIYAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-21(23-19)24-20(27)14-25-10-12-26(13-11-25)18-4-2-1-3-5-18/h1-9,15H,10-14H2,(H,23,24,27).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 412.95 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 7339737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).