2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole

C19H23N5S — CID 167102077

IUPAC2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
SMILESCc1cnc(N2CCN(C(C)c3ccc4sc(C)nc4c3)CC2)nc1
InChIInChI=1S/C19H23N5S/c1-13-11-20-19(21-12-13)24-8-6-23(7-9-24)14(2)16-4-5-18-17(10-16)22-15(3)25-18/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyWNBHOOXCSNGHPO-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.59
Rot. Bonds3

About 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole

2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole (PubChem CID 167102077) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
PubChem CID167102077
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
SMILESCc1cnc(N2CCN(C(C)c3ccc4sc(C)nc4c3)CC2)nc1
InChIInChI=1S/C19H23N5S/c1-13-11-20-19(21-12-13)24-8-6-23(7-9-24)14(2)16-4-5-18-17(10-16)22-15(3)25-18/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyWNBHOOXCSNGHPO-UHFFFAOYSA-N
XLogP3.59
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(1R)-1-[4-(5-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 156777332
5-[1-[4-(5-ethylsulfanylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methyl-1,3-benzothiazole
CID 146414864
imino-methyl-[2-[4-[(1S)-1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-oxo-λ6-sulfane
CID 142414045
imino-methyl-[2-[4-[1-(2-methyl-1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-λ4-sulfane
CID 142414097
5-[(1S)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1S)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;5-[(1R)-1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-2H-1,3-benzothiazol-2-ide;hexakis(yttrium)
CID 161429026
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane
CID 146414682
7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
CID 118911329
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 161239383
2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 130366452
[2-[4-[1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane
CID 142413992
5-[1-(2,7-diazaspiro[4.4]nonan-2-yl)ethyl]-2-methyl-1,3-benzothiazole
CID 135301811
N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
CID 118911409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole (CID 167102077) is 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole is Cc1cnc(N2CCN(C(C)c3ccc4sc(C)nc4c3)CC2)nc1.
What is the InChIKey of 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
The InChIKey is WNBHOOXCSNGHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-13-11-20-19(21-12-13)24-8-6-23(7-9-24)14(2)16-4-5-18-17(10-16)22-15(3)25-18/h4-5,10-12,14H,6-9H2,1-3H3.
What are the key properties of 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole has a molecular weight of 353.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole is sourced from PubChem (CID 167102077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).