4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide

C18H14Cl2N4O3S — CID 143516249

IUPAC4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide
SMILESO=C(Nc1nc2cc(O)ccc2s1)N1CCN(c2ccc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C18H14Cl2N4O3S/c19-10-1-3-14(12(20)7-10)24-6-5-23(9-16(24)26)18(27)22-17-21-13-8-11(25)2-4-15(13)28-17/h1-4,7-8,25H,5-6,9H2,(H,21,22,27)
InChIKeyUNQYSTQPZSQUKJ-UHFFFAOYSA-N
MW437.31 g/mol
LogP4.19
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide

4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 143516249) has the molecular formula C18H14Cl2N4O3S and a molecular weight of 437.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide
PubChem CID143516249
Molecular FormulaC18H14Cl2N4O3S
Molecular Weight437.31 g/mol
Exact Mass436.02
IUPAC Name4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide
SMILESO=C(Nc1nc2cc(O)ccc2s1)N1CCN(c2ccc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C18H14Cl2N4O3S/c19-10-1-3-14(12(20)7-10)24-6-5-23(9-16(24)26)18(27)22-17-21-13-8-11(25)2-4-15(13)28-17/h1-4,7-8,25H,5-6,9H2,(H,21,22,27)
InChIKeyUNQYSTQPZSQUKJ-UHFFFAOYSA-N
XLogP4.19
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide (CID 143516249) is 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide is O=C(Nc1nc2cc(O)ccc2s1)N1CCN(c2ccc(Cl)cc2Cl)C(=O)C1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is UNQYSTQPZSQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3S/c19-10-1-3-14(12(20)7-10)24-6-5-23(9-16(24)26)18(27)22-17-21-13-8-11(25)2-4-15(13)28-17/h1-4,7-8,25H,5-6,9H2,(H,21,22,27).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide?
4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 437.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(5-hydroxy-1,3-benzothiazol-2-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 143516249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).