N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline

C16H22N2S — CID 54862115

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(C)c1nc(C)sc1C
InChIInChI=1S/C16H22N2S/c1-6-14-9-7-8-10(2)15(14)17-11(3)16-12(4)19-13(5)18-16/h7-9,11,17H,6H2,1-5H3
InChIKeySRKMOPLFWUKMFQ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.80
Rot. Bonds4

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline (PubChem CID 54862115) 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]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline
PubChem CID54862115
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(C)c1nc(C)sc1C
InChIInChI=1S/C16H22N2S/c1-6-14-9-7-8-10(2)15(14)17-11(3)16-12(4)19-13(5)18-16/h7-9,11,17H,6H2,1-5H3
InChIKeySRKMOPLFWUKMFQ-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732745
N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448610
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643800
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43201329
N-(1-cyclopentylethyl)-2-ethyl-6-methylaniline
CID 63448490
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 103114569
N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448450
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43109519
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethynylaniline
CID 43200554
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 97129472
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]-2-ethyl-6-methylaniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline (CID 54862115) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NC(C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline?
The InChIKey is SRKMOPLFWUKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-6-14-9-7-8-10(2)15(14)17-11(3)16-12(4)19-13(5)18-16/h7-9,11,17H,6H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline has a molecular weight of 274.43 g/mol, XLogP of 4.80, 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]-2-ethyl-6-methylaniline is sourced from PubChem (CID 54862115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).