2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol

C14H16F2N2OS — CID 111466873

IUPAC2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncsc1CNCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2OS/c1-9-13(20-8-18-9)6-17-7-14(2,19)11-4-3-10(15)5-12(11)16/h3-5,8,17,19H,6-7H2,1-2H3
InChIKeyNXSAPXLQWZXDJB-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.73
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol

2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol (PubChem CID 111466873) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
PubChem CID111466873
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncsc1CNCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2OS/c1-9-13(20-8-18-9)6-17-7-14(2,19)11-4-3-10(15)5-12(11)16/h3-5,8,17,19H,6-7H2,1-2H3
InChIKeyNXSAPXLQWZXDJB-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 111334415
2-(2,4-difluorophenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 111334389
2-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811942
2-[[[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811943
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411
5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid
CID 167895497
1-(5-fluoro-2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113356209
1-(2-bromo-4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 103698709
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol (CID 111466873) is 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol is Cc1ncsc1CNCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The InChIKey is NXSAPXLQWZXDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-9-13(20-8-18-9)6-17-7-14(2,19)11-4-3-10(15)5-12(11)16/h3-5,8,17,19H,6-7H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol has a molecular weight of 298.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111466873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).