N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline

C15H20N2OS — CID 102093203

IUPACN-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](c2nccs2)C(C)(C)C)cc1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)13(14-16-9-10-19-14)17-11-5-7-12(18-4)8-6-11/h5-10,13,17H,1-4H3/t13-/m1/s1
InChIKeyXREWDMZUPXFYPT-CYBMUJFWSA-N
MW276.41 g/mol
LogP4.35
Rot. Bonds4

About N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline

N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline (PubChem CID 102093203) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline
PubChem CID102093203
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](c2nccs2)C(C)(C)C)cc1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)13(14-16-9-10-19-14)17-11-5-7-12(18-4)8-6-11/h5-10,13,17H,1-4H3/t13-/m1/s1
InChIKeyXREWDMZUPXFYPT-CYBMUJFWSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline (CID 102093203) is N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline is COc1ccc(N[C@H](c2nccs2)C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline?
The InChIKey is XREWDMZUPXFYPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)13(14-16-9-10-19-14)17-11-5-7-12(18-4)8-6-11/h5-10,13,17H,1-4H3/t13-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline?
N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline has a molecular weight of 276.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-4-methoxyaniline is sourced from PubChem (CID 102093203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).