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

C11H10ClFN2S — CID 60942118

IUPAC4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-14-5-9(16-7)6-15-8-2-3-10(12)11(13)4-8/h2-5,15H,6H2,1H3
InChIKeyDHGIDUDJVAQSGO-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.86
Rot. Bonds3

About 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60942118) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60942118
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-14-5-9(16-7)6-15-8-2-3-10(12)11(13)4-8/h2-5,15H,6H2,1H3
InChIKeyDHGIDUDJVAQSGO-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 54868758
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941776
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699159
2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868744
4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 54868500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60942118) is 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is DHGIDUDJVAQSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-7-14-5-9(16-7)6-15-8-2-3-10(12)11(13)4-8/h2-5,15H,6H2,1H3.
What are the key properties of 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 256.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60942118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).