2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline

C10H7ClF2N2S — CID 83081963

IUPAC2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cscn2)c(Cl)c1
InChIInChI=1S/C10H7ClF2N2S/c11-8-1-6(12)2-9(13)10(8)14-3-7-4-16-5-15-7/h1-2,4-5,14H,3H2
InChIKeyATEIZCYNFLXNNA-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline

2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 83081963) has the molecular formula C10H7ClF2N2S and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID83081963
Molecular FormulaC10H7ClF2N2S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2cscn2)c(Cl)c1
InChIInChI=1S/C10H7ClF2N2S/c11-8-1-6(12)2-9(13)10(8)14-3-7-4-16-5-15-7/h1-2,4-5,14H,3H2
InChIKeyATEIZCYNFLXNNA-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61168854
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline
CID 112749366
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83081720
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-4,6-difluoroaniline
CID 83081174
5-chloro-4-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 114089254
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
CID 61171394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 83081963) is 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline is Fc1cc(F)c(NCc2cscn2)c(Cl)c1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is ATEIZCYNFLXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2S/c11-8-1-6(12)2-9(13)10(8)14-3-7-4-16-5-15-7/h1-2,4-5,14H,3H2.
What are the key properties of 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 260.70 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 83081963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).