2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C11H11FN2S — CID 60688792

IUPAC2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cscn2)c1
InChIInChI=1S/C11H11FN2S/c1-8-2-3-10(12)11(4-8)13-5-9-6-15-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyVMVKCDROAAYRTJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.20
Rot. Bonds3

About 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60688792) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60688792
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cscn2)c1
InChIInChI=1S/C11H11FN2S/c1-8-2-3-10(12)11(4-8)13-5-9-6-15-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyVMVKCDROAAYRTJ-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
2-fluoro-4,5-dimethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 84595025
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
4-chloro-2-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 115468994
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 60721482

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60688792) is 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is Cc1ccc(F)c(NCc2cscn2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is VMVKCDROAAYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-8-2-3-10(12)11(4-8)13-5-9-6-15-7-14-9/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 222.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60688792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).