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

C10H7ClF2N2S — CID 104921572

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
SMILESFc1ccc(NCc2ncc(Cl)s2)c(F)c1
InChIInChI=1S/C10H7ClF2N2S/c11-9-4-15-10(16-9)5-14-8-2-1-6(12)3-7(8)13/h1-4,14H,5H2
InChIKeyCLNJBNGJGFRZSF-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.69
Rot. Bonds3

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline (PubChem CID 104921572) has the molecular formula C10H7ClF2N2S and a molecular weight of 260.70 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
PubChem CID104921572
Molecular FormulaC10H7ClF2N2S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
SMILESFc1ccc(NCc2ncc(Cl)s2)c(F)c1
InChIInChI=1S/C10H7ClF2N2S/c11-9-4-15-10(16-9)5-14-8-2-1-6(12)3-7(8)13/h1-4,14H,5H2
InChIKeyCLNJBNGJGFRZSF-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

2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline
CID 104879426
methyl 5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2,4-difluorobenzoate
CID 104921633
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 104921679
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104879408
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-nitro-4-(trifluoromethyl)aniline
CID 107124014
methyl 4-chloro-2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzoate
CID 107123927
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 107123890
4-bromo-2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 107797762

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline (CID 104921572) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline is Fc1ccc(NCc2ncc(Cl)s2)c(F)c1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline?
The InChIKey is CLNJBNGJGFRZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2S/c11-9-4-15-10(16-9)5-14-8-2-1-6(12)3-7(8)13/h1-4,14H,5H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline 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 N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline is sourced from PubChem (CID 104921572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).