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

C20H22N4OS — CID 17171328

IUPAC4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nsc4ccccc34)CC2)cc1C
InChIInChI=1S/C20H22N4OS/c1-14-7-8-16(13-15(14)2)21-20(25)24-11-9-23(10-12-24)19-17-5-3-4-6-18(17)26-22-19/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyAOGONVPCKVDJMO-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.27
Rot. Bonds2

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

4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 17171328) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID17171328
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nsc4ccccc34)CC2)cc1C
InChIInChI=1S/C20H22N4OS/c1-14-7-8-16(13-15(14)2)21-20(25)24-11-9-23(10-12-24)19-17-5-3-4-6-18(17)26-22-19/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyAOGONVPCKVDJMO-UHFFFAOYSA-N
XLogP4.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide (CID 17171328) is 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3nsc4ccccc34)CC2)cc1C.
What is the InChIKey of 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is AOGONVPCKVDJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-7-8-16(13-15(14)2)21-20(25)24-11-9-23(10-12-24)19-17-5-3-4-6-18(17)26-22-19/h3-8,13H,9-12H2,1-2H3,(H,21,25).
What are the key properties of 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17171328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).