2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine

C18H20N2S — CID 79008754

IUPAC2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
SMILESCCC(Cc1ccccc1)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C18H20N2S/c1-3-15(11-14-7-5-4-6-8-14)20-16-9-10-17-18(12-16)21-13(2)19-17/h4-10,12,15,20H,3,11H2,1-2H3
InChIKeyHROLEIBEJDKPFE-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.04
Rot. Bonds5

About 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine

2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine (PubChem CID 79008754) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
PubChem CID79008754
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
SMILESCCC(Cc1ccccc1)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C18H20N2S/c1-3-15(11-14-7-5-4-6-8-14)20-16-9-10-17-18(12-16)21-13(2)19-17/h4-10,12,15,20H,3,11H2,1-2H3
InChIKeyHROLEIBEJDKPFE-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682628
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide
CID 42912111
N-(1-phenylbutan-2-yl)-1H-indol-5-amine
CID 79007478
3-chloro-4-methoxy-N-(1-phenylbutan-2-yl)aniline
CID 79007273
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682648
N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine
CID 19154623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine (CID 79008754) is 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine is CCC(Cc1ccccc1)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine?
The InChIKey is HROLEIBEJDKPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-15(11-14-7-5-4-6-8-14)20-16-9-10-17-18(12-16)21-13(2)19-17/h4-10,12,15,20H,3,11H2,1-2H3.
What are the key properties of 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine?
2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine has a molecular weight of 296.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 79008754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).