N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide

C20H19ClN4OS — CID 162387037

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H19ClN4OS/c21-17-4-2-1-3-16(17)18-13-27-20(23-18)24-19(26)14-5-7-15(8-6-14)25-11-9-22-10-12-25/h1-8,13,22H,9-12H2,(H,23,24,26)
InChIKeyPUBJQOUEGCNLSK-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.13
Rot. Bonds4

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide (PubChem CID 162387037) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
PubChem CID162387037
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H19ClN4OS/c21-17-4-2-1-3-16(17)18-13-27-20(23-18)24-19(26)14-5-7-15(8-6-14)25-11-9-22-10-12-25/h1-8,13,22H,9-12H2,(H,23,24,26)
InChIKeyPUBJQOUEGCNLSK-UHFFFAOYSA-N
XLogP4.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 162386859
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 19197399
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 162387018
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 86873602
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide (CID 162387037) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
The InChIKey is PUBJQOUEGCNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c21-17-4-2-1-3-16(17)18-13-27-20(23-18)24-19(26)14-5-7-15(8-6-14)25-11-9-22-10-12-25/h1-8,13,22H,9-12H2,(H,23,24,26).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 398.92 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 162387037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).