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

C16H12ClFN2S — CID 168582121

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
SMILESFc1cc(-c2ccccc2)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C16H12ClFN2S/c17-16-20-10-13(21-16)9-19-15-7-6-12(8-14(15)18)11-4-2-1-3-5-11/h1-8,10,19H,9H2
InChIKeyHYDYIILJMJHBCP-UHFFFAOYSA-N
MW318.80 g/mol
LogP5.21
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline (PubChem CID 168582121) has the molecular formula C16H12ClFN2S and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
PubChem CID168582121
Molecular FormulaC16H12ClFN2S
Molecular Weight318.80 g/mol
Exact Mass318.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
SMILESFc1cc(-c2ccccc2)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C16H12ClFN2S/c17-16-20-10-13(21-16)9-19-15-7-6-12(8-14(15)18)11-4-2-1-3-5-11/h1-8,10,19H,9H2
InChIKeyHYDYIILJMJHBCP-UHFFFAOYSA-N
XLogP5.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.80
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-nitroaniline
CID 168584054
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
CID 168583771
[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenyl]-phenylmethanone
CID 168580202
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,4-difluoro-3-(trifluoromethyl)aniline
CID 168580126
[5-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-phenylmethanone
CID 168580354
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
CID 168583939
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(4-ethyltriazol-1-yl)-2-fluoroaniline
CID 168582124
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-4-iodoaniline
CID 168583459

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline (CID 168582121) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline is Fc1cc(-c2ccccc2)ccc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline?
The InChIKey is HYDYIILJMJHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2S/c17-16-20-10-13(21-16)9-19-15-7-6-12(8-14(15)18)11-4-2-1-3-5-11/h1-8,10,19H,9H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline has a molecular weight of 318.80 g/mol, XLogP of 5.21, 4 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]-2-fluoro-4-phenylaniline is sourced from PubChem (CID 168582121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).