[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone

C15H16ClN3OS — CID 7539519

IUPAC[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C15H16ClN3OS/c16-11-2-1-3-12-13(11)17-15(21-12)19-8-6-18(7-9-19)14(20)10-4-5-10/h1-3,10H,4-9H2
InChIKeyONOSBXSYDOFDAS-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.01
Rot. Bonds2

About [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone

[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 7539519) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID7539519
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C15H16ClN3OS/c16-11-2-1-3-12-13(11)17-15(21-12)19-8-6-18(7-9-19)14(20)10-4-5-10/h1-3,10H,4-9H2
InChIKeyONOSBXSYDOFDAS-UHFFFAOYSA-N
XLogP3.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2746594
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7539094
4-(4-Chlorobenzo[d]thiazol-2-yl)morpholine
CID 3237878
6-Chloro-2-(piperidin-1-yl)benzo[d]thiazole
CID 2741379
1-(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 7136377
[4-(6-Chloro-benzothiazol-2-yl)-[1,4]diazepan-1-yl]-(tetrahydro-pyran-4-yl)-methanone
CID 25266386
4,6-Dichloro-2-piperidino-1,3-benzothiazole
CID 2739034
4-Chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3238736
(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)(5-chlorothiophen-2-yl)methanone
CID 5310198
1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7136463
(4-(7-Chloro-4-methylbenzo[d]thiazol-2-yl)piperazin-1-yl)(cyclopropyl)methanone
CID 7292691

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone (CID 7539519) is [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(c2nc3c(Cl)cccc3s2)CC1.
What is the InChIKey of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is ONOSBXSYDOFDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-11-2-1-3-12-13(11)17-15(21-12)19-8-6-18(7-9-19)14(20)10-4-5-10/h1-3,10H,4-9H2.
What are the key properties of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 321.83 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 7539519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).