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

C10H7ClF2N2S — CID 155676657

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline
SMILESFc1ccc(NCc2cnc(Cl)s2)cc1F
InChIInChI=1S/C10H7ClF2N2S/c11-10-15-5-7(16-10)4-14-6-1-2-8(12)9(13)3-6/h1-3,5,14H,4H2
InChIKeyXFZUKJSRBPKYMB-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.69
Rot. Bonds3

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline (PubChem CID 155676657) has the molecular formula C10H7ClF2N2S and a molecular weight of 260.70 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline
PubChem CID155676657
Molecular FormulaC10H7ClF2N2S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline
SMILESFc1ccc(NCc2cnc(Cl)s2)cc1F
InChIInChI=1S/C10H7ClF2N2S/c11-10-15-5-7(16-10)4-14-6-1-2-8(12)9(13)3-6/h1-3,5,14H,4H2
InChIKeyXFZUKJSRBPKYMB-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline (CID 155676657) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline is Fc1ccc(NCc2cnc(Cl)s2)cc1F.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline?
The InChIKey is XFZUKJSRBPKYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2S/c11-10-15-5-7(16-10)4-14-6-1-2-8(12)9(13)3-6/h1-3,5,14H,4H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-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-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,4-difluoroaniline is sourced from PubChem (CID 155676657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).