N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine

C13H15FN2S — CID 114834505

IUPACN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(C)c(-c2cccc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-3-15-8-12-16-9(2)13(17-12)10-5-4-6-11(14)7-10/h4-7,15H,3,8H2,1-2H3
InChIKeyUFCRTNBSMCKFJF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.37
Rot. Bonds4

About N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine

N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 114834505) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID114834505
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(C)c(-c2cccc(F)c2)s1
InChIInChI=1S/C13H15FN2S/c1-3-15-8-12-16-9(2)13(17-12)10-5-4-6-11(14)7-10/h4-7,15H,3,8H2,1-2H3
InChIKeyUFCRTNBSMCKFJF-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114834516
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114834511
N-[[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 114834508
2-butan-2-yl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 90707689
N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 66073362
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017
3-(4-methyl-2-propyl-1,3-thiazol-5-yl)aniline
CID 116885231
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209566
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62403730

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine (CID 114834505) is N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(C)c(-c2cccc(F)c2)s1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is UFCRTNBSMCKFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-15-8-12-16-9(2)13(17-12)10-5-4-6-11(14)7-10/h4-7,15H,3,8H2,1-2H3.
What are the key properties of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 114834505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).