1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine

C19H24ClN5S — CID 72883520

IUPAC1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine
SMILESCCc1nccn1CCNC1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C19H24ClN5S/c1-2-18-22-8-12-24(18)11-7-21-15-5-9-25(10-6-15)19-23-16-4-3-14(20)13-17(16)26-19/h3-4,8,12-13,15,21H,2,5-7,9-11H2,1H3
InChIKeyMXGVNTFUGMEHGV-UHFFFAOYSA-N
MW389.96 g/mol
LogP3.97
Rot. Bonds6

About 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine

1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine (PubChem CID 72883520) has the molecular formula C19H24ClN5S and a molecular weight of 389.96 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine
PubChem CID72883520
Molecular FormulaC19H24ClN5S
Molecular Weight389.96 g/mol
Exact Mass389.14
IUPAC Name1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine
SMILESCCc1nccn1CCNC1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C19H24ClN5S/c1-2-18-22-8-12-24(18)11-7-21-15-5-9-25(10-6-15)19-23-16-4-3-14(20)13-17(16)26-19/h3-4,8,12-13,15,21H,2,5-7,9-11H2,1H3
InChIKeyMXGVNTFUGMEHGV-UHFFFAOYSA-N
XLogP3.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.96
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine (CID 72883520) is 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine is CCc1nccn1CCNC1CCN(c2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine?
The InChIKey is MXGVNTFUGMEHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5S/c1-2-18-22-8-12-24(18)11-7-21-15-5-9-25(10-6-15)19-23-16-4-3-14(20)13-17(16)26-19/h3-4,8,12-13,15,21H,2,5-7,9-11H2,1H3.
What are the key properties of 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine?
1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine has a molecular weight of 389.96 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 72883520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).