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

C12H13FN2S — CID 60941542

IUPAC5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cc(F)ccc2C)s1
InChIInChI=1S/C12H13FN2S/c1-8-3-4-10(13)5-12(8)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3
InChIKeyIJHLOXXCPFLSSJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.51
Rot. Bonds3

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

5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941542) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941542
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cc(F)ccc2C)s1
InChIInChI=1S/C12H13FN2S/c1-8-3-4-10(13)5-12(8)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3
InChIKeyIJHLOXXCPFLSSJ-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
methyl 4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 54868582
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868744
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
4-fluoro-5-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 103590044
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143723
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941776

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941542) is 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2cc(F)ccc2C)s1.
What is the InChIKey of 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is IJHLOXXCPFLSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-3-4-10(13)5-12(8)15-7-11-6-14-9(2)16-11/h3-6,15H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 236.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).