N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline

C16H22N2OS — CID 43123040

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCc1nc(C(C)Nc2ccc(OC(C)C)cc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-10(2)19-15-8-6-14(7-9-15)17-11(3)16-12(4)20-13(5)18-16/h6-11,17H,1-5H3
InChIKeyIHDZZUCAYCOISV-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.72
Rot. Bonds5

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline (PubChem CID 43123040) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
PubChem CID43123040
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCc1nc(C(C)Nc2ccc(OC(C)C)cc2)c(C)s1
InChIInChI=1S/C16H22N2OS/c1-10(2)19-15-8-6-14(7-9-15)17-11(3)16-12(4)20-13(5)18-16/h6-11,17H,1-5H3
InChIKeyIHDZZUCAYCOISV-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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
CID 43124277
3-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylaniline
CID 43105437
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
2-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenoxy]acetonitrile
CID 43721074
2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
CID 60935553
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethynylaniline
CID 43200554
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43201329
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-propan-2-ylaniline
CID 43099408
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943708
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43108669
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643800
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43725374

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline (CID 43123040) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline is Cc1nc(C(C)Nc2ccc(OC(C)C)cc2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
The InChIKey is IHDZZUCAYCOISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10(2)19-15-8-6-14(7-9-15)17-11(3)16-12(4)20-13(5)18-16/h6-11,17H,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline?
N-[1-(2,5-dimethyl-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 N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 43123040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).