4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

C13H15FN2S — CID 9420037

IUPAC4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-9(2)7-15-13-16-12(8-17-13)10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyGYWPVPNEGSDIAB-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.02
Rot. Bonds4

About 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 9420037) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID9420037
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C13H15FN2S/c1-9(2)7-15-13-16-12(8-17-13)10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyGYWPVPNEGSDIAB-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.02
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
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420029
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 9420037) is 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)CNc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is GYWPVPNEGSDIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(2)7-15-13-16-12(8-17-13)10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 250.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 9420037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).