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

C12H13FN2S — CID 79448591

IUPAC2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESNCC(Cc1cscn1)c1ccccc1F
InChIInChI=1S/C12H13FN2S/c13-12-4-2-1-3-11(12)9(6-14)5-10-7-16-8-15-10/h1-4,7-9H,5-6,14H2
InChIKeyOIYPAQGZQQGEKF-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.57
Rot. Bonds4

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

2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79448591) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID79448591
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESNCC(Cc1cscn1)c1ccccc1F
InChIInChI=1S/C12H13FN2S/c13-12-4-2-1-3-11(12)9(6-14)5-10-7-16-8-15-10/h1-4,7-9H,5-6,14H2
InChIKeyOIYPAQGZQQGEKF-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole
CID 79454763
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453
2-(2-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 79448882
1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65017845
2-(2-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334426
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115996809
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79420864
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139092
5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine (CID 79448591) is 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine is NCC(Cc1cscn1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is OIYPAQGZQQGEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-12-4-2-1-3-11(12)9(6-14)5-10-7-16-8-15-10/h1-4,7-9H,5-6,14H2.
What are the key properties of 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine?
2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79448591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).