1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

C13H15FN2S — CID 61337834

IUPAC1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-8(2)12(15)13-16-11(7-17-13)9-4-3-5-10(14)6-9/h3-8,12H,15H2,1-2H3
InChIKeySVSZEVRXGJGCMX-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.61
Rot. Bonds3

About 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 61337834) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID61337834
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-8(2)12(15)13-16-11(7-17-13)9-4-3-5-10(14)6-9/h3-8,12H,15H2,1-2H3
InChIKeySVSZEVRXGJGCMX-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 63342291
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 82967723
1-[4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338792
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62653135
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023
1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338213
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965515
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 61337834) is 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is SVSZEVRXGJGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8(2)12(15)13-16-11(7-17-13)9-4-3-5-10(14)6-9/h3-8,12H,15H2,1-2H3.
What are the key properties of 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 61337834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).