4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide

C14H14Cl2N4OS — CID 162665276

IUPAC4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H14Cl2N4OS/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(21)18-13-17-9-12(16)22-13/h1-4,9H,5-8H2,(H,17,18,21)
InChIKeyNADGIFWLAXHUBM-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.80
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 162665276) has the molecular formula C14H14Cl2N4OS and a molecular weight of 357.27 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID162665276
Molecular FormulaC14H14Cl2N4OS
Molecular Weight357.27 g/mol
Exact Mass356.03
IUPAC Name4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H14Cl2N4OS/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(21)18-13-17-9-12(16)22-13/h1-4,9H,5-8H2,(H,17,18,21)
InChIKeyNADGIFWLAXHUBM-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 162665276) is 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1ncc(Cl)s1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is NADGIFWLAXHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4OS/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(21)18-13-17-9-12(16)22-13/h1-4,9H,5-8H2,(H,17,18,21).
What are the key properties of 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 357.27 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162665276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).