N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine

C16H15ClN2S — CID 45272513

IUPACN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine
SMILESC[C@H](Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H15ClN2S/c1-11(10-12-6-8-13(17)9-7-12)18-16-19-14-4-2-3-5-15(14)20-16/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeySSNXHVVYEQKECS-LLVKDONJSA-N
MW302.83 g/mol
LogP4.99
Rot. Bonds4

About N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine

N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine (PubChem CID 45272513) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine
PubChem CID45272513
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine
SMILESC[C@H](Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H15ClN2S/c1-11(10-12-6-8-13(17)9-7-12)18-16-19-14-4-2-3-5-15(14)20-16/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeySSNXHVVYEQKECS-LLVKDONJSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine (CID 45272513) is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine is C[C@H](Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine?
The InChIKey is SSNXHVVYEQKECS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11(10-12-6-8-13(17)9-7-12)18-16-19-14-4-2-3-5-15(14)20-16/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine?
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine has a molecular weight of 302.83 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 45272513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).