N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine

C17H23FN2S — CID 114364081

IUPACN-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cc(C)cc(F)c2)nc1CCC
InChIInChI=1S/C17H23FN2S/c1-4-6-15-16(11-19-7-5-2)21-17(20-15)13-8-12(3)9-14(18)10-13/h8-10,19H,4-7,11H2,1-3H3
InChIKeyFZNDMEMHBVNCKU-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.71
Rot. Bonds7

About N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114364081) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114364081
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC NameN-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cc(C)cc(F)c2)nc1CCC
InChIInChI=1S/C17H23FN2S/c1-4-6-15-16(11-19-7-5-2)21-17(20-15)13-8-12(3)9-14(18)10-13/h8-10,19H,4-7,11H2,1-3H3
InChIKeyFZNDMEMHBVNCKU-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,5-difluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363996
N-[[2-(3-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363835
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
N-[[2-(3-bromo-5-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366403
N-[[4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367354
3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921876
N-[[2-(4-methylthiophen-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363941
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
N-[[2-(2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82431325
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114364081) is N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(-c2cc(C)cc(F)c2)nc1CCC.
What is the InChIKey of N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is FZNDMEMHBVNCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-4-6-15-16(11-19-7-5-2)21-17(20-15)13-8-12(3)9-14(18)10-13/h8-10,19H,4-7,11H2,1-3H3.
What are the key properties of N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114364081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).