N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine

C15H14N2S — CID 28533165

IUPACN-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
SMILESC[C@H](Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H14N2S/c1-11(12-7-3-2-4-8-12)16-15-17-13-9-5-6-10-14(13)18-15/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyDZIWQKREFWAFGE-NSHDSACASA-N
MW254.36 g/mol
LogP4.47
Rot. Bonds3

About N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine

N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine (PubChem CID 28533165) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
PubChem CID28533165
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
SMILESC[C@H](Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H14N2S/c1-11(12-7-3-2-4-8-12)16-15-17-13-9-5-6-10-14(13)18-15/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyDZIWQKREFWAFGE-NSHDSACASA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
CID 43372307
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 78961580
2-(1,3-benzothiazol-2-ylamino)-3-methylbutan-1-ol
CID 79246244
methyl (2S)-2-(1,3-benzothiazol-2-ylamino)propanoate
CID 6991162
2-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]phenol
CID 135029307
3-(1,3-benzothiazol-2-ylamino)-1-phenylbutan-2-ol
CID 133400238
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
N-tert-butyl-1,3-benzothiazol-2-amine;ethane
CID 157105322
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-pentan-3-ylpropanamide
CID 8849998

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine (CID 28533165) is N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine is C[C@H](Nc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine?
The InChIKey is DZIWQKREFWAFGE-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2S/c1-11(12-7-3-2-4-8-12)16-15-17-13-9-5-6-10-14(13)18-15/h2-11H,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine?
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 28533165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).