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

C13H15FN2S — CID 54883805

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
SMILESCCc1ncc(CNc2cc(F)ccc2C)s1
InChIInChI=1S/C13H15FN2S/c1-3-13-16-8-11(17-13)7-15-12-6-10(14)5-4-9(12)2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyUJJWIYPNAQCDJP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.77
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline (PubChem CID 54883805) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
PubChem CID54883805
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
SMILESCCc1ncc(CNc2cc(F)ccc2C)s1
InChIInChI=1S/C13H15FN2S/c1-3-13-16-8-11(17-13)7-15-12-6-10(14)5-4-9(12)2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyUJJWIYPNAQCDJP-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
CID 113268236
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 54883669
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 83078204
5-[(2,4-difluorophenyl)methyl]-2-ethyl-1,3-thiazole
CID 130314674
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline (CID 54883805) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline is CCc1ncc(CNc2cc(F)ccc2C)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline?
The InChIKey is UJJWIYPNAQCDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-13-16-8-11(17-13)7-15-12-6-10(14)5-4-9(12)2/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline has a molecular weight of 250.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 54883805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).