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

C15H19FN2S — CID 62404813

IUPACN-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H19FN2S/c1-11(2)8-17-9-14-10-18-15(19-14)7-12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyNMDOWJVCFKVTGE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.62
Rot. Bonds6

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

N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62404813) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62404813
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H19FN2S/c1-11(2)8-17-9-14-10-18-15(19-14)7-12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyNMDOWJVCFKVTGE-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82423991
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091635
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63023882
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281353
N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 81277433
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65138412
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62404813) is N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NMDOWJVCFKVTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-11(2)8-17-9-14-10-18-15(19-14)7-12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62404813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).