4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide

C20H22N4O2S — CID 3237073

IUPAC4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-2-26-16-9-7-15(8-10-16)21-19(25)23-11-13-24(14-12-23)20-22-17-5-3-4-6-18(17)27-20/h3-10H,2,11-14H2,1H3,(H,21,25)
InChIKeyFBOBPPOEBAMWII-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.05
Rot. Bonds4

About 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide

4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 3237073) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID3237073
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-2-26-16-9-7-15(8-10-16)21-19(25)23-11-13-24(14-12-23)20-22-17-5-3-4-6-18(17)27-20/h3-10H,2,11-14H2,1H3,(H,21,25)
InChIKeyFBOBPPOEBAMWII-UHFFFAOYSA-N
XLogP4.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 3237073) is 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is FBOBPPOEBAMWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-26-16-9-7-15(8-10-16)21-19(25)23-11-13-24(14-12-23)20-22-17-5-3-4-6-18(17)27-20/h3-10H,2,11-14H2,1H3,(H,21,25).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3237073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).