N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide

C14H15ClN4O3S — CID 21278887

IUPACN-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide
SMILESO=CNN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H15ClN4O3S/c15-10-1-2-12-11(7-10)19(14(22)23-12)8-13(21)17-3-5-18(6-4-17)16-9-20/h1-2,7,9H,3-6,8H2,(H,16,20)
InChIKeyLKBDDGOKAAKXPB-UHFFFAOYSA-N
MW354.82 g/mol
LogP0.52
Rot. Bonds4

About N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide

N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide (PubChem CID 21278887) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide.

Molecular Properties

Compound NameN-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide
PubChem CID21278887
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC NameN-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide
SMILESO=CNN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C14H15ClN4O3S/c15-10-1-2-12-11(7-10)19(14(22)23-12)8-13(21)17-3-5-18(6-4-17)16-9-20/h1-2,7,9H,3-6,8H2,(H,16,20)
InChIKeyLKBDDGOKAAKXPB-UHFFFAOYSA-N
XLogP0.52
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide?
The IUPAC name of N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide (CID 21278887) is N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide.
What is the SMILES notation for N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide?
The canonical SMILES for N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide is O=CNN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1.
What is the InChIKey of N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide?
The InChIKey is LKBDDGOKAAKXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c15-10-1-2-12-11(7-10)19(14(22)23-12)8-13(21)17-3-5-18(6-4-17)16-9-20/h1-2,7,9H,3-6,8H2,(H,16,20).
What are the key properties of N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide?
N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide has a molecular weight of 354.82 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide is sourced from PubChem (CID 21278887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).