4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline

C13H14F2N2OS — CID 54883371

IUPAC4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H14F2N2OS/c1-2-12-17-8-11(19-12)7-16-9-3-5-10(6-4-9)18-13(14)15/h3-6,8,13,16H,2,7H2,1H3
InChIKeyGTFNZAVMROUVCO-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.92
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline

4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 54883371) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID54883371
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H14F2N2OS/c1-2-12-17-8-11(19-12)7-16-9-3-5-10(6-4-9)18-13(14)15/h3-6,8,13,16H,2,7H2,1H3
InChIKeyGTFNZAVMROUVCO-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751
1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787139
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60983008
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 54883135
3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 62325026
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrimidin-5-amine
CID 107588313
1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea
CID 60983648
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-fluorobenzoic acid
CID 54883431
N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)aniline
CID 28623913
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
CID 113268236

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (CID 54883371) is 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline is CCc1ncc(CNc2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is GTFNZAVMROUVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-2-12-17-8-11(19-12)7-16-9-3-5-10(6-4-9)18-13(14)15/h3-6,8,13,16H,2,7H2,1H3.
What are the key properties of 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 284.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 54883371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).