4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

C21H19ClN4O2S — CID 16915044

IUPAC4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2S/c22-16-8-6-15(7-9-16)19(27)24-21-23-18(14-29-21)20(28)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyFUHYCUXKIHQUTI-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.01
Rot. Bonds4

About 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16915044) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16915044
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2S/c22-16-8-6-15(7-9-16)19(27)24-21-23-18(14-29-21)20(28)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyFUHYCUXKIHQUTI-UHFFFAOYSA-N
XLogP4.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16914901
4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567922
4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915172
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
3,4-dichloro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46113807
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25405806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (CID 16915044) is 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FUHYCUXKIHQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c22-16-8-6-15(7-9-16)19(27)24-21-23-18(14-29-21)20(28)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,23,24,27).
What are the key properties of 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 426.93 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16915044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).