ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate

C15H17N3O3S — CID 900713

IUPACethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H17N3O3S/c1-2-21-15(20)18-9-7-17(8-10-18)14(19)13-16-11-5-3-4-6-12(11)22-13/h3-6H,2,7-10H2,1H3
InChIKeyYNNMYWPJCQHFGR-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.21
Rot. Bonds2

About ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 900713) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate
PubChem CID900713
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H17N3O3S/c1-2-21-15(20)18-9-7-17(8-10-18)14(19)13-16-11-5-3-4-6-12(11)22-13/h3-6H,2,7-10H2,1H3
InChIKeyYNNMYWPJCQHFGR-UHFFFAOYSA-N
XLogP2.21
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate 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 ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate (CID 900713) is ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1.
What is the InChIKey of ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is YNNMYWPJCQHFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-2-21-15(20)18-9-7-17(8-10-18)14(19)13-16-11-5-3-4-6-12(11)22-13/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 319.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-benzothiazole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 900713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).