6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine

C14H18ClN3S — CID 82191751

IUPAC6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(Cl)cc2sc(NCC3CCNCC3)nc12
InChIInChI=1S/C14H18ClN3S/c1-9-6-11(15)7-12-13(9)18-14(19-12)17-8-10-2-4-16-5-3-10/h6-7,10,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyLCDARCUIGHSENL-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.67
Rot. Bonds3

About 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine

6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 82191751) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID82191751
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(Cl)cc2sc(NCC3CCNCC3)nc12
InChIInChI=1S/C14H18ClN3S/c1-9-6-11(15)7-12-13(9)18-14(19-12)17-8-10-2-4-16-5-3-10/h6-7,10,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyLCDARCUIGHSENL-UHFFFAOYSA-N
XLogP3.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine (CID 82191751) is 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine is Cc1cc(Cl)cc2sc(NCC3CCNCC3)nc12.
What is the InChIKey of 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is LCDARCUIGHSENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9-6-11(15)7-12-13(9)18-14(19-12)17-8-10-2-4-16-5-3-10/h6-7,10,16H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82191751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).