[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine

C11H9ClF2N2OS — CID 178134350

IUPAC[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2cc(Cl)ccc2OC(F)F)s1
InChIInChI=1S/C11H9ClF2N2OS/c12-6-1-2-9(17-11(13)14)8(3-6)10-16-5-7(4-15)18-10/h1-3,5,11H,4,15H2
InChIKeyYZJSHPZFIPTZNB-UHFFFAOYSA-N
MW290.72 g/mol
LogP3.52
Rot. Bonds4

About [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine

[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 178134350) has the molecular formula C11H9ClF2N2OS and a molecular weight of 290.72 g/mol. Its IUPAC name is [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine
PubChem CID178134350
Molecular FormulaC11H9ClF2N2OS
Molecular Weight290.72 g/mol
Exact Mass290.01
IUPAC Name[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2cc(Cl)ccc2OC(F)F)s1
InChIInChI=1S/C11H9ClF2N2OS/c12-6-1-2-9(17-11(13)14)8(3-6)10-16-5-7(4-15)18-10/h1-3,5,11H,4,15H2
InChIKeyYZJSHPZFIPTZNB-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 63082297
[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol
CID 178132888
[(3R,5S)-5-tert-butyl-1-[[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methoxymethanol
CID 178133614
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
5-[1-(3-tert-butylpiperidin-1-yl)ethyl]-2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole
CID 178133423
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 107125215
2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole
CID 178133484
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150079028
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79712640
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine (CID 178134350) is [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2cc(Cl)ccc2OC(F)F)s1.
What is the InChIKey of [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is YZJSHPZFIPTZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2OS/c12-6-1-2-9(17-11(13)14)8(3-6)10-16-5-7(4-15)18-10/h1-3,5,11H,4,15H2.
What are the key properties of [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine?
[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 290.72 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 178134350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).