2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline

C16H22N2OS — CID 60935222

IUPAC2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCc1nc(C(C)Nc2ccc(OC(C)C)cc2C)cs1
InChIInChI=1S/C16H22N2OS/c1-10(2)19-14-6-7-15(11(3)8-14)17-12(4)16-9-20-13(5)18-16/h6-10,12,17H,1-5H3
InChIKeyBSVJYBVDCHDHCZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.72
Rot. Bonds5

About 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline

2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline (PubChem CID 60935222) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
PubChem CID60935222
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCc1nc(C(C)Nc2ccc(OC(C)C)cc2C)cs1
InChIInChI=1S/C16H22N2OS/c1-10(2)19-14-6-7-15(11(3)8-14)17-12(4)16-9-20-13(5)18-16/h6-10,12,17H,1-5H3
InChIKeyBSVJYBVDCHDHCZ-UHFFFAOYSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.72
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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Related Compounds

4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54865366
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
4-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 55037144
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43731624
4-bromo-1-N,1-N-dimethyl-2-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 43746306
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
2-bromo-5-fluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 107633286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline (CID 60935222) is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline is Cc1nc(C(C)Nc2ccc(OC(C)C)cc2C)cs1.
What is the InChIKey of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
The InChIKey is BSVJYBVDCHDHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10(2)19-14-6-7-15(11(3)8-14)17-12(4)16-9-20-13(5)18-16/h6-10,12,17H,1-5H3.
What are the key properties of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline has a molecular weight of 290.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 60935222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).