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

C15H20FN3S — CID 64542716

IUPAC4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C15H20FN3S/c1-4-17-11(2)14-10-20-15(18-14)19(3)9-12-6-5-7-13(16)8-12/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyUPBGRCSNEDQUHJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.59
Rot. Bonds6

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

4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 64542716) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID64542716
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C15H20FN3S/c1-4-17-11(2)14-10-20-15(18-14)19(3)9-12-6-5-7-13(16)8-12/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyUPBGRCSNEDQUHJ-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[1-(ethylamino)ethyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 64542740
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544155
4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 64544545
N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544898
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62764340
3-[2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486092
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543560
N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64544590

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 64542716) is 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is CCNC(C)c1csc(N(C)Cc2cccc(F)c2)n1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UPBGRCSNEDQUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-4-17-11(2)14-10-20-15(18-14)19(3)9-12-6-5-7-13(16)8-12/h5-8,10-11,17H,4,9H2,1-3H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.59, 6 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-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64542716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).