N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C15H20FN3S — CID 62751596

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C15H20FN3S/c1-3-7-17-9-14-10-18-15(20-14)19(2)11-12-5-4-6-13(16)8-12/h4-6,8,10,17H,3,7,9,11H2,1-2H3
InChIKeyHWCNISCQJICXNT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.42
Rot. Bonds7

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

N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62751596) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62751596
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C15H20FN3S/c1-3-7-17-9-14-10-18-15(20-14)19(2)11-12-5-4-6-13(16)8-12/h4-6,8,10,17H,3,7,9,11H2,1-2H3
InChIKeyHWCNISCQJICXNT-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43777642
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753127
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62750736
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752533
N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79858515
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556467
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753296
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62751596) is N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(C)Cc2cccc(F)c2)s1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is HWCNISCQJICXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-3-7-17-9-14-10-18-15(20-14)19(2)11-12-5-4-6-13(16)8-12/h4-6,8,10,17H,3,7,9,11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62751596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).