2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine

C16H21FN2S — CID 79441055

IUPAC2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CC(CNC(C)C)c2cccc(F)c2)cs1
InChIInChI=1S/C16H21FN2S/c1-11(2)18-9-14(8-16-10-20-12(3)19-16)13-5-4-6-15(17)7-13/h4-7,10-11,14,18H,8-9H2,1-3H3
InChIKeyWDSIMCJFJFVKOS-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.91
Rot. Bonds6

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

2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79441055) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79441055
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CC(CNC(C)C)c2cccc(F)c2)cs1
InChIInChI=1S/C16H21FN2S/c1-11(2)18-9-14(8-16-10-20-12(3)19-16)13-5-4-6-15(17)7-13/h4-7,10-11,14,18H,8-9H2,1-3H3
InChIKeyWDSIMCJFJFVKOS-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79440371
4-[3-bromo-2-(3-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79430289
4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024225
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674
1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 102612414
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 104810835
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083600
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine (CID 79441055) is 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine is Cc1nc(CC(CNC(C)C)c2cccc(F)c2)cs1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is WDSIMCJFJFVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-11(2)18-9-14(8-16-10-20-12(3)19-16)13-5-4-6-15(17)7-13/h4-7,10-11,14,18H,8-9H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine?
2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79441055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).