4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C14H18FN3S — CID 64544155

IUPAC4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN3S/c1-4-16-10(2)13-9-19-14(17-13)18(3)12-7-5-11(15)6-8-12/h5-10,16H,4H2,1-3H3
InChIKeyHIWHAMMVTCBJRJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.72
Rot. Bonds5

About 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 64544155) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID64544155
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN3S/c1-4-16-10(2)13-9-19-14(17-13)18(3)12-7-5-11(15)6-8-12/h5-10,16H,4H2,1-3H3
InChIKeyHIWHAMMVTCBJRJ-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 64544155) is 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCNC(C)c1csc(N(C)c2ccc(F)cc2)n1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HIWHAMMVTCBJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-4-16-10(2)13-9-19-14(17-13)18(3)12-7-5-11(15)6-8-12/h5-10,16H,4H2,1-3H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64544155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).