1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone

C14H13N5OS2 — CID 126855118

IUPAC1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C14H13N5OS2/c20-14(13-16-10-3-1-2-4-11(10)21-13)19-7-5-18(6-8-19)12-9-15-22-17-12/h1-4,9H,5-8H2
InChIKeyFLCAETKJYUXCGS-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.11
Rot. Bonds2

About 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone

1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone (PubChem CID 126855118) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
PubChem CID126855118
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC Name1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCN(c2cnsn2)CC1
InChIInChI=1S/C14H13N5OS2/c20-14(13-16-10-3-1-2-4-11(10)21-13)19-7-5-18(6-8-19)12-9-15-22-17-12/h1-4,9H,5-8H2
InChIKeyFLCAETKJYUXCGS-UHFFFAOYSA-N
XLogP2.11
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzothiazol-2-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146043
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 100816307
1,3-benzothiazol-2-yl-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539237
1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347643
1,3-benzothiazol-2-yl-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333533
1,3-benzothiazol-2-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347384
[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897904
1,3-benzothiazol-2-yl-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25319372
1-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 100816308
1,3-benzothiazol-2-yl-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491337
1,3-benzothiazol-2-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 71783267
1,3-benzothiazol-2-yl-[4-(1,3-oxazol-2-yl)piperidin-1-yl]methanone
CID 126857975

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone (CID 126855118) is 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCN(c2cnsn2)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is FLCAETKJYUXCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c20-14(13-16-10-3-1-2-4-11(10)21-13)19-7-5-18(6-8-19)12-9-15-22-17-12/h1-4,9H,5-8H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 331.43 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126855118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).