N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine

C18H27N3S — CID 174554067

IUPACN-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine
SMILESCCCCCCN(c1nc2ccccc2s1)C1CCCCN1
InChIInChI=1S/C18H27N3S/c1-2-3-4-9-14-21(17-12-7-8-13-19-17)18-20-15-10-5-6-11-16(15)22-18/h5-6,10-11,17,19H,2-4,7-9,12-14H2,1H3
InChIKeyJGHAFBCGJQHSPW-UHFFFAOYSA-N
MW317.50 g/mol
LogP4.78
Rot. Bonds7

About N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine

N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine (PubChem CID 174554067) has the molecular formula C18H27N3S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine
PubChem CID174554067
Molecular FormulaC18H27N3S
Molecular Weight317.50 g/mol
Exact Mass317.19
IUPAC NameN-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine
SMILESCCCCCCN(c1nc2ccccc2s1)C1CCCCN1
InChIInChI=1S/C18H27N3S/c1-2-3-4-9-14-21(17-12-7-8-13-19-17)18-20-15-10-5-6-11-16(15)22-18/h5-6,10-11,17,19H,2-4,7-9,12-14H2,1H3
InChIKeyJGHAFBCGJQHSPW-UHFFFAOYSA-N
XLogP4.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 80675483
N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635789
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine
CID 63231075
N'-(1,3-benzothiazol-2-yl)-N'-dodecylbenzenesulfonohydrazide
CID 70574734
N-butyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 141167970
2-(azepan-2-yl)-1-(1,3-benzothiazol-2-yl)ethanone
CID 79537658
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine (CID 174554067) is N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine is CCCCCCN(c1nc2ccccc2s1)C1CCCCN1.
What is the InChIKey of N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is JGHAFBCGJQHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3S/c1-2-3-4-9-14-21(17-12-7-8-13-19-17)18-20-15-10-5-6-11-16(15)22-18/h5-6,10-11,17,19H,2-4,7-9,12-14H2,1H3.
What are the key properties of N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine?
N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 317.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 174554067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).