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

C15H19FN2S — CID 64544898

IUPACN-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H19FN2S/c1-3-7-17-11(2)14-10-19-15(18-14)9-12-5-4-6-13(16)8-12/h4-6,8,10-11,17H,3,7,9H2,1-2H3
InChIKeyMMNOOQLYSZFRQS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.93
Rot. Bonds6

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

N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64544898) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64544898
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H19FN2S/c1-3-7-17-11(2)14-10-19-15(18-14)9-12-5-4-6-13(16)8-12/h4-6,8,10-11,17H,3,7,9H2,1-2H3
InChIKeyMMNOOQLYSZFRQS-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64542673
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 64542716
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 61221053
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64544468
2-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 110021989
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021543
1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
N-[[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62403730
2-[(3-fluorophenyl)methyl]-N-(5-hydroxypentan-2-yl)-1,3-thiazole-4-carboxamide
CID 110021509
1-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 64543314
N-[[4-ethyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841471

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64544898) is N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(Cc2cccc(F)c2)n1.
What is the InChIKey of N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is MMNOOQLYSZFRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-3-7-17-11(2)14-10-19-15(18-14)9-12-5-4-6-13(16)8-12/h4-6,8,10-11,17H,3,7,9H2,1-2H3.
What are the key properties of N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64544898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).