N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide

C19H22N6OS — CID 118911409

IUPACN-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(N2CCN(C(C)c3ccc4ncsc4c3)CC2)nc1
InChIInChI=1S/C19H22N6OS/c1-13(15-3-4-17-18(9-15)27-12-22-17)24-5-7-25(8-6-24)19-20-10-16(11-21-19)23-14(2)26/h3-4,9-13H,5-8H2,1-2H3,(H,23,26)
InChIKeyRPSPJAPHFZFFCP-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.93
Rot. Bonds4

About N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide

N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide (PubChem CID 118911409) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
PubChem CID118911409
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(N2CCN(C(C)c3ccc4ncsc4c3)CC2)nc1
InChIInChI=1S/C19H22N6OS/c1-13(15-3-4-17-18(9-15)27-12-22-17)24-5-7-25(8-6-24)19-20-10-16(11-21-19)23-14(2)26/h3-4,9-13H,5-8H2,1-2H3,(H,23,26)
InChIKeyRPSPJAPHFZFFCP-UHFFFAOYSA-N
XLogP2.93
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118911306
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane
CID 146414682
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 161239383
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane
CID 142413992
N-[7-[1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-yl]acetamide
CID 146412558
N-[7-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-yl]acetamide
CID 146412660
2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 130366452
2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 167102077
1-[2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]ethanone
CID 118903010
1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355
N-[5-[7-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 146412658
N-[2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]formamide
CID 166654969

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide (CID 118911409) is N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide is CC(=O)Nc1cnc(N2CCN(C(C)c3ccc4ncsc4c3)CC2)nc1.
What is the InChIKey of N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
The InChIKey is RPSPJAPHFZFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-13(15-3-4-17-18(9-15)27-12-22-17)24-5-7-25(8-6-24)19-20-10-16(11-21-19)23-14(2)26/h3-4,9-13H,5-8H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide?
N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 2.93, 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-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 118911409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).