4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

C19H28N4S — CID 90213677

IUPAC4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChIInChI=1S/C19H28N4S/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19-17-3-1-2-4-18(17)24-21-19/h1-4,15-16H,5-14,20H2
InChIKeyHMETZCGOVJHJBJ-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.33
Rot. Bonds4

About 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 90213677) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID90213677
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC Name4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChIInChI=1S/C19H28N4S/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19-17-3-1-2-4-18(17)24-21-19/h1-4,15-16H,5-14,20H2
InChIKeyHMETZCGOVJHJBJ-UHFFFAOYSA-N
XLogP3.33
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Piperazinyl)-1,2-benzisothiazole
CID 2772144
3-(1-Piperazinyl)-1,2-benzisothiazole monohydrochloride
CID 11521711
8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline
CID 44404457
6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-indan-1-ylamine
CID 44447001
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]naphthalene-2-sulfonamide
CID 56944564
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-methylbenzenesulfonamide
CID 56944565
N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 66801229
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 72699528
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-methylbenzenesulfonamide
CID 72699690
3-[4-[2-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 72699692
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 72700473
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide
CID 72700475

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine (CID 90213677) is 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1.
What is the InChIKey of 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is HMETZCGOVJHJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19-17-3-1-2-4-18(17)24-21-19/h1-4,15-16H,5-14,20H2.
What are the key properties of 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 344.53 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 90213677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).