N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide

C15H20N4OS — CID 10357692

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C15H20N4OS/c1-18-8-10-19(11-9-18)7-6-16-15(20)14-12-4-2-3-5-13(12)21-17-14/h2-5H,6-11H2,1H3,(H,16,20)
InChIKeyWMXVMIIWAHJNQR-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 10357692) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide
PubChem CID10357692
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C15H20N4OS/c1-18-8-10-19(11-9-18)7-6-16-15(20)14-12-4-2-3-5-13(12)21-17-14/h2-5H,6-11H2,1H3,(H,16,20)
InChIKeyWMXVMIIWAHJNQR-UHFFFAOYSA-N
XLogP1.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide (CID 10357692) is N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide is CN1CCN(CCNC(=O)c2nsc3ccccc23)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is WMXVMIIWAHJNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-18-8-10-19(11-9-18)7-6-16-15(20)14-12-4-2-3-5-13(12)21-17-14/h2-5H,6-11H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 10357692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).