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

C16H22N2S — CID 43100230

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
SMILESCc1nc(C(C)Nc2cccc(C(C)C)c2)c(C)s1
InChIInChI=1S/C16H22N2S/c1-10(2)14-7-6-8-15(9-14)17-11(3)16-12(4)19-13(5)18-16/h6-11,17H,1-5H3
InChIKeyWFQFSBQGTAYVHI-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.06
Rot. Bonds4

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline (PubChem CID 43100230) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
PubChem CID43100230
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
SMILESCc1nc(C(C)Nc2cccc(C(C)C)c2)c(C)s1
InChIInChI=1S/C16H22N2S/c1-10(2)14-7-6-8-15(9-14)17-11(3)16-12(4)19-13(5)18-16/h6-11,17H,1-5H3
InChIKeyWFQFSBQGTAYVHI-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethynylaniline
CID 43200554
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-pyrrolidin-1-ylaniline
CID 60943708
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43725374
2-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenoxy]acetonitrile
CID 43721074
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
CID 43124277
4-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylaniline
CID 107571938
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-propan-2-ylaniline
CID 43099408
(1S)-1-(3-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81366225
(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81365478
1-(3-bromophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43673199
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
CID 43123040

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline (CID 43100230) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline is Cc1nc(C(C)Nc2cccc(C(C)C)c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline?
The InChIKey is WFQFSBQGTAYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10(2)14-7-6-8-15(9-14)17-11(3)16-12(4)19-13(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]-3-propan-2-ylaniline?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline has a molecular weight of 274.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline is sourced from PubChem (CID 43100230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).