1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine

C14H18FN3S — CID 55014968

IUPAC1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccc(F)cc1)N(C)Cc1cscn1
InChIInChI=1S/C14H18FN3S/c1-10(16)14(11-3-5-12(15)6-4-11)18(2)7-13-8-19-9-17-13/h3-6,8-10,14H,7,16H2,1-2H3
InChIKeyZOJBBSRRGMSZJE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine

1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine (PubChem CID 55014968) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
PubChem CID55014968
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccc(F)cc1)N(C)Cc1cscn1
InChIInChI=1S/C14H18FN3S/c1-10(16)14(11-3-5-12(15)6-4-11)18(2)7-13-8-19-9-17-13/h3-6,8-10,14H,7,16H2,1-2H3
InChIKeyZOJBBSRRGMSZJE-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 78935356
4-[(1R)-1-aminoethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55189964
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 63649441
3-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]propanenitrile
CID 55016997
1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 55021873
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
1-[5-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]ethanol
CID 55013782
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine (CID 55014968) is 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine is CC(N)C(c1ccc(F)cc1)N(C)Cc1cscn1.
What is the InChIKey of 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
The InChIKey is ZOJBBSRRGMSZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-10(16)14(11-3-5-12(15)6-4-11)18(2)7-13-8-19-9-17-13/h3-6,8-10,14H,7,16H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine has a molecular weight of 279.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-N-methyl-1-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 55014968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).