2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine

C17H23FN2S — CID 114832560

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)(Cc1cccc(F)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23FN2S/c1-16(2,3)14-11-21-15(20-14)17(4,19-5)10-12-7-6-8-13(18)9-12/h6-9,11,19H,10H2,1-5H3
InChIKeyJOCLOAJIZGHZJU-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 114832560) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine
PubChem CID114832560
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(C)(Cc1cccc(F)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23FN2S/c1-16(2,3)14-11-21-15(20-14)17(4,19-5)10-12-7-6-8-13(18)9-12/h6-9,11,19H,10H2,1-5H3
InChIKeyJOCLOAJIZGHZJU-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832562
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
2-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82155385
2-[2-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82155466
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 62192622
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 116889375
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine (CID 114832560) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine is CNC(C)(Cc1cccc(F)c1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is JOCLOAJIZGHZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-16(2,3)14-11-21-15(20-14)17(4,19-5)10-12-7-6-8-13(18)9-12/h6-9,11,19H,10H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 114832560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).