5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine

C14H18FN3S — CID 55117326

IUPAC5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)c2cccc(F)c2)sc1CN
InChIInChI=1S/C14H18FN3S/c1-3-12-13(9-16)19-14(17-12)18(4-2)11-7-5-6-10(15)8-11/h5-8H,3-4,9,16H2,1-2H3
InChIKeyIITAAOJHUWHXLC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.46
Rot. Bonds5

About 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 55117326) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID55117326
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)c2cccc(F)c2)sc1CN
InChIInChI=1S/C14H18FN3S/c1-3-12-13(9-16)19-14(17-12)18(4-2)11-7-5-6-10(15)8-11/h5-8H,3-4,9,16H2,1-2H3
InChIKeyIITAAOJHUWHXLC-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine (CID 55117326) is 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine is CCc1nc(N(CC)c2cccc(F)c2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is IITAAOJHUWHXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-3-12-13(9-16)19-14(17-12)18(4-2)11-7-5-6-10(15)8-11/h5-8H,3-4,9,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,4-diethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).