4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide

C23H24N4O2S — CID 155969386

IUPAC4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1oc2ccccc2c1CCNC(=O)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C23H24N4O2S/c1-16-17(18-6-2-4-8-20(18)29-16)10-11-24-23(28)27-14-12-26(13-15-27)22-19-7-3-5-9-21(19)30-25-22/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyPXDDQRKOZDDATL-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.43
Rot. Bonds4

About 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide

4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 155969386) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID155969386
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1oc2ccccc2c1CCNC(=O)N1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C23H24N4O2S/c1-16-17(18-6-2-4-8-20(18)29-16)10-11-24-23(28)27-14-12-26(13-15-27)22-19-7-3-5-9-21(19)30-25-22/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyPXDDQRKOZDDATL-UHFFFAOYSA-N
XLogP4.43
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 17171328
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893
(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 51583727
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 91069215
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 154738700
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 118775576
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157019312
4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide
CID 122561037
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342
4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 46358838
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[2-methyl-5-(2-nitrophenyl)furan-3-yl]methanone
CID 4901433

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide (CID 155969386) is 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide is Cc1oc2ccccc2c1CCNC(=O)N1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is PXDDQRKOZDDATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-17(18-6-2-4-8-20(18)29-16)10-11-24-23(28)27-14-12-26(13-15-27)22-19-7-3-5-9-21(19)30-25-22/h2-9H,10-15H2,1H3,(H,24,28).
What are the key properties of 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide?
4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 155969386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).