1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine

C15H20FN3S — CID 63837877

IUPAC1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCc1ncsc1CN(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C15H20FN3S/c1-11-15(20-10-18-11)9-19(2)7-6-14(17)12-4-3-5-13(16)8-12/h3-5,8,10,14H,6-7,9,17H2,1-2H3
InChIKeyOEZZFROEPBQRLX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.11
Rot. Bonds6

About 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine

1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 63837877) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID63837877
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCc1ncsc1CN(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C15H20FN3S/c1-11-15(20-10-18-11)9-19(2)7-6-14(17)12-4-3-5-13(16)8-12/h3-5,8,10,14H,6-7,9,17H2,1-2H3
InChIKeyOEZZFROEPBQRLX-UHFFFAOYSA-N
XLogP3.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62643255
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62643348
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenylbutanamide
CID 63837429
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N',2,2-trimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropane-1,3-diamine
CID 63837706
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 55259017
1-(4-bromophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-ol
CID 63836338
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarbothioamide
CID 64763592
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine (CID 63837877) is 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine is Cc1ncsc1CN(C)CCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is OEZZFROEPBQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-11-15(20-10-18-11)9-19(2)7-6-14(17)12-4-3-5-13(16)8-12/h3-5,8,10,14H,6-7,9,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 293.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63837877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).