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

C13H14F2N2S — CID 63751891

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline
SMILESCc1nc(C)c(C(C)Nc2ccc(F)cc2F)s1
InChIInChI=1S/C13H14F2N2S/c1-7-13(18-9(3)16-7)8(2)17-12-5-4-10(14)6-11(12)15/h4-6,8,17H,1-3H3
InChIKeyKVTFEEHAQLMEPN-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.21
Rot. Bonds3

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline (PubChem CID 63751891) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline
PubChem CID63751891
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline
SMILESCc1nc(C)c(C(C)Nc2ccc(F)cc2F)s1
InChIInChI=1S/C13H14F2N2S/c1-7-13(18-9(3)16-7)8(2)17-12-5-4-10(14)6-11(12)15/h4-6,8,17H,1-3H3
InChIKeyKVTFEEHAQLMEPN-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.21
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]-5-fluoro-2-nitroaniline
CID 62378159
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoro-2-methylaniline
CID 63752957
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]-2,3,5,6-tetrafluoroaniline
CID 107643595
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-iodo-2-methylaniline
CID 63752277
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide
CID 63751916
1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 61192642
2-chloro-1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 55151089
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63751601
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 63750612
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
CID 113286044

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline (CID 63751891) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline is Cc1nc(C)c(C(C)Nc2ccc(F)cc2F)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline?
The InChIKey is KVTFEEHAQLMEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-7-13(18-9(3)16-7)8(2)17-12-5-4-10(14)6-11(12)15/h4-6,8,17H,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline has a molecular weight of 268.33 g/mol, XLogP of 4.21, 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]-2,4-difluoroaniline is sourced from PubChem (CID 63751891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).