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

C14H17FN2S — CID 63752957

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline
SMILESCc1nc(C)c(C(C)Nc2cccc(F)c2C)s1
InChIInChI=1S/C14H17FN2S/c1-8-12(15)6-5-7-13(8)17-10(3)14-9(2)16-11(4)18-14/h5-7,10,17H,1-4H3
InChIKeyIHQUNFZPIYGBFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.38
Rot. Bonds3

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline (PubChem CID 63752957) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline
PubChem CID63752957
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline
SMILESCc1nc(C)c(C(C)Nc2cccc(F)c2C)s1
InChIInChI=1S/C14H17FN2S/c1-8-12(15)6-5-7-13(8)17-10(3)14-9(2)16-11(4)18-14/h5-7,10,17H,1-4H3
InChIKeyIHQUNFZPIYGBFI-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline
CID 63751891
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
CID 63752779
2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 115545340
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine
CID 61193012
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643595
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62532682
4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-iodoaniline
CID 107631525
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
CID 61064036
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 63750612

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline (CID 63752957) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline is Cc1nc(C)c(C(C)Nc2cccc(F)c2C)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline?
The InChIKey is IHQUNFZPIYGBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-8-12(15)6-5-7-13(8)17-10(3)14-9(2)16-11(4)18-14/h5-7,10,17H,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline has a molecular weight of 264.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline is sourced from PubChem (CID 63752957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).