(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine

C15H19FN2S — CID 96522250

IUPAC(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine
SMILESCc1nc(CN(C)[C@H](C)c2ccc(F)cc2)sc1C
InChIInChI=1S/C15H19FN2S/c1-10-12(3)19-15(17-10)9-18(4)11(2)13-5-7-14(16)8-6-13/h5-8,11H,9H2,1-4H3/t11-/m1/s1
InChIKeyYKAAIKKUZQRCOU-LLVKDONJSA-N
MW278.40 g/mol
LogP4.09
Rot. Bonds4

About (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine

(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine (PubChem CID 96522250) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine
PubChem CID96522250
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine
SMILESCc1nc(CN(C)[C@H](C)c2ccc(F)cc2)sc1C
InChIInChI=1S/C15H19FN2S/c1-10-12(3)19-15(17-10)9-18(4)11(2)13-5-7-14(16)8-6-13/h5-8,11H,9H2,1-4H3/t11-/m1/s1
InChIKeyYKAAIKKUZQRCOU-LLVKDONJSA-N
XLogP4.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine (CID 96522250) is (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine is Cc1nc(CN(C)[C@H](C)c2ccc(F)cc2)sc1C.
What is the InChIKey of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is YKAAIKKUZQRCOU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-10-12(3)19-15(17-10)9-18(4)11(2)13-5-7-14(16)8-6-13/h5-8,11H,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine?
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 278.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 96522250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).