1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine

C16H21FN2S — CID 115633725

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCc1csc(CNC(c2ccc(F)cc2)C(C)(C)C)n1
InChIInChI=1S/C16H21FN2S/c1-11-10-20-14(19-11)9-18-15(16(2,3)4)12-5-7-13(17)8-6-12/h5-8,10,15,18H,9H2,1-4H3
InChIKeyCDVTVAICJPDUHI-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.47
Rot. Bonds4

About 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine

1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 115633725) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID115633725
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCc1csc(CNC(c2ccc(F)cc2)C(C)(C)C)n1
InChIInChI=1S/C16H21FN2S/c1-11-10-20-14(19-11)9-18-15(16(2,3)4)12-5-7-13(17)8-6-12/h5-8,10,15,18H,9H2,1-4H3
InChIKeyCDVTVAICJPDUHI-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 61043720
(1R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348339
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113260063
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
5-[[[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]thiophene-3-carboxamide
CID 125134343
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 115633725) is 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is Cc1csc(CNC(c2ccc(F)cc2)C(C)(C)C)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is CDVTVAICJPDUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-11-10-20-14(19-11)9-18-15(16(2,3)4)12-5-7-13(17)8-6-12/h5-8,10,15,18H,9H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115633725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).