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

C14H17FN2S — CID 62794811

IUPAC1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1nc(C)cs1
InChIInChI=1S/C14H17FN2S/c1-10-9-18-14(17-10)8-13(16-2)7-11-4-3-5-12(15)6-11/h3-6,9,13,16H,7-8H2,1-2H3
InChIKeyIZMBVWNWVKUFCM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.96
Rot. Bonds5

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

1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62794811) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID62794811
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1nc(C)cs1
InChIInChI=1S/C14H17FN2S/c1-10-9-18-14(17-10)8-13(16-2)7-11-4-3-5-12(15)6-11/h3-6,9,13,16H,7-8H2,1-2H3
InChIKeyIZMBVWNWVKUFCM-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060
[1-(3-bromophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105202756
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
CID 62795679
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 106868100
N,6-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 83161569
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 79828211
N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82877070
4-methoxy-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 78917521

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 62794811) is 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1cccc(F)c1)Cc1nc(C)cs1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is IZMBVWNWVKUFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-10-9-18-14(17-10)8-13(16-2)7-11-4-3-5-12(15)6-11/h3-6,9,13,16H,7-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62794811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).