N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide

C20H24N6OS — CID 118911407

IUPACN-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(N2CCN(C(C)c3ccc4sc(C)nc4c3)CC2)nc1
InChIInChI=1S/C20H24N6OS/c1-13(16-4-5-19-18(10-16)24-15(3)28-19)25-6-8-26(9-7-25)20-21-11-17(12-22-20)23-14(2)27/h4-5,10-13H,6-9H2,1-3H3,(H,23,27)
InChIKeyKNOTZIPVVDSXRT-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.24
Rot. Bonds4

About N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide

N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide (PubChem CID 118911407) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
PubChem CID118911407
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(N2CCN(C(C)c3ccc4sc(C)nc4c3)CC2)nc1
InChIInChI=1S/C20H24N6OS/c1-13(16-4-5-19-18(10-16)24-15(3)28-19)25-6-8-26(9-7-25)20-21-11-17(12-22-20)23-14(2)27/h4-5,10-13H,6-9H2,1-3H3,(H,23,27)
InChIKeyKNOTZIPVVDSXRT-UHFFFAOYSA-N
XLogP3.24
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide (CID 118911407) is N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide is CC(=O)Nc1cnc(N2CCN(C(C)c3ccc4sc(C)nc4c3)CC2)nc1.
What is the InChIKey of N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
The InChIKey is KNOTZIPVVDSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13(16-4-5-19-18(10-16)24-15(3)28-19)25-6-8-26(9-7-25)20-21-11-17(12-22-20)23-14(2)27/h4-5,10-13H,6-9H2,1-3H3,(H,23,27).
What are the key properties of N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 118911407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).