5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine

C15H21ClN2S — CID 43674821

IUPAC5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine
SMILESCCC(C)CC(CC)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C15H21ClN2S/c1-4-10(3)8-11(5-2)18-14-12(16)6-7-13-15(14)17-9-19-13/h6-7,9-11,18H,4-5,8H2,1-3H3
InChIKeyZVKYRIJJSSSNSH-UHFFFAOYSA-N
MW296.87 g/mol
LogP5.58
Rot. Bonds6

About 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine

5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine (PubChem CID 43674821) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine
PubChem CID43674821
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC Name5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine
SMILESCCC(C)CC(CC)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C15H21ClN2S/c1-4-10(3)8-11(5-2)18-14-12(16)6-7-13-15(14)17-9-19-13/h6-7,9-11,18H,4-5,8H2,1-3H3
InChIKeyZVKYRIJJSSSNSH-UHFFFAOYSA-N
XLogP5.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.87
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine
CID 43674780
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674787
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
CID 43674852
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674854
5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43779325
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43779328
N-(5-chloro-1,3-benzothiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248974
4-[1-[(5-chloro-1,3-benzothiazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107714756
2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881
5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
CID 79548676
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine (CID 43674821) is 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine is CCC(C)CC(CC)Nc1c(Cl)ccc2scnc12.
What is the InChIKey of 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine?
The InChIKey is ZVKYRIJJSSSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2S/c1-4-10(3)8-11(5-2)18-14-12(16)6-7-13-15(14)17-9-19-13/h6-7,9-11,18H,4-5,8H2,1-3H3.
What are the key properties of 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine?
5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine has a molecular weight of 296.87 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43674821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).