1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine

C14H16F2N2OS — CID 79888393

IUPAC1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCc1ncc(COc2c(F)cc(CC(C)N)cc2F)s1
InChIInChI=1S/C14H16F2N2OS/c1-8(17)3-10-4-12(15)14(13(16)5-10)19-7-11-6-18-9(2)20-11/h4-6,8H,3,7,17H2,1-2H3
InChIKeyRXFBKFQJFMAKIP-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.20
Rot. Bonds5

About 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine

1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 79888393) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID79888393
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCc1ncc(COc2c(F)cc(CC(C)N)cc2F)s1
InChIInChI=1S/C14H16F2N2OS/c1-8(17)3-10-4-12(15)14(13(16)5-10)19-7-11-6-18-9(2)20-11/h4-6,8H,3,7,17H2,1-2H3
InChIKeyRXFBKFQJFMAKIP-UHFFFAOYSA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 79888311
2-[5-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 107700166
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine (CID 79888393) is 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine is Cc1ncc(COc2c(F)cc(CC(C)N)cc2F)s1.
What is the InChIKey of 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is RXFBKFQJFMAKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-8(17)3-10-4-12(15)14(13(16)5-10)19-7-11-6-18-9(2)20-11/h4-6,8H,3,7,17H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 298.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 79888393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).