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

C18H23N3O2S — CID 70760207

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)CCCCO1
InChIInChI=1S/C18H23N3O2S/c1-18(8-4-5-13-23-18)16(22)20-9-11-21(12-10-20)17-19-14-6-2-3-7-15(14)24-17/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyWRDHWGMIJRXTPF-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.90
Rot. Bonds2

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

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone (PubChem CID 70760207) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone
PubChem CID70760207
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)CCCCO1
InChIInChI=1S/C18H23N3O2S/c1-18(8-4-5-13-23-18)16(22)20-9-11-21(12-10-20)17-19-14-6-2-3-7-15(14)24-17/h2-3,6-7H,4-5,8-13H2,1H3
InChIKeyWRDHWGMIJRXTPF-UHFFFAOYSA-N
XLogP2.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 72896588
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 121082961
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 121082962
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 86285492
(2R)-1-[9-(1,3-benzothiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-hydroxy-3-methylbutan-1-one
CID 138048753
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
1,3-benzothiazol-2-yl-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539237
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70738719
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95882648
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
CID 72912494

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone (CID 70760207) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone is CC1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)CCCCO1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone?
The InChIKey is WRDHWGMIJRXTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-18(8-4-5-13-23-18)16(22)20-9-11-21(12-10-20)17-19-14-6-2-3-7-15(14)24-17/h2-3,6-7H,4-5,8-13H2,1H3.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 70760207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).