[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone

C18H17ClN4OS — CID 50882821

IUPAC[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone
SMILESNc1nc2c(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)ccc2s1
InChIInChI=1S/C18H17ClN4OS/c19-13-6-7-14-15(21-18(20)25-14)16(13)22-8-10-23(11-9-22)17(24)12-4-2-1-3-5-12/h1-7H,8-11H2,(H2,20,21)
InChIKeySKIZHNPJSKBQAA-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.49
Rot. Bonds2

About [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone

[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 50882821) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone
PubChem CID50882821
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone
SMILESNc1nc2c(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)ccc2s1
InChIInChI=1S/C18H17ClN4OS/c19-13-6-7-14-15(21-18(20)25-14)16(13)22-8-10-23(11-9-22)17(24)12-4-2-1-3-5-12/h1-7H,8-11H2,(H2,20,21)
InChIKeySKIZHNPJSKBQAA-UHFFFAOYSA-N
XLogP3.49
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 50882842
[4-(5-chloro-2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 50882627
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 41027453
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 7577746
[4-[5-chloro-2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 50882763
[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-phenylmethanone
CID 805199
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 41115263
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 7577748
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539422
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 41116848
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-phenylmethanone
CID 67247122

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone (CID 50882821) is [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone is Nc1nc2c(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)ccc2s1.
What is the InChIKey of [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is SKIZHNPJSKBQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c19-13-6-7-14-15(21-18(20)25-14)16(13)22-8-10-23(11-9-22)17(24)12-4-2-1-3-5-12/h1-7H,8-11H2,(H2,20,21).
What are the key properties of [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone?
[4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 372.88 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-chloro-1,3-benzothiazol-4-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 50882821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).