1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H19FN2S — CID 114364913

IUPAC1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(C)cc(F)c2)nc1C(C)C
InChIInChI=1S/C15H19FN2S/c1-9(2)14-13(8-17-4)19-15(18-14)11-5-10(3)6-12(16)7-11/h5-7,9,17H,8H2,1-4H3
InChIKeySCPMJISCOOZUKF-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114364913) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114364913
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(C)cc(F)c2)nc1C(C)C
InChIInChI=1S/C15H19FN2S/c1-9(2)14-13(8-17-4)19-15(18-14)11-5-10(3)6-12(16)7-11/h5-7,9,17H,8H2,1-4H3
InChIKeySCPMJISCOOZUKF-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114364913) is 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2cc(C)cc(F)c2)nc1C(C)C.
What is the InChIKey of 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is SCPMJISCOOZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-9(2)14-13(8-17-4)19-15(18-14)11-5-10(3)6-12(16)7-11/h5-7,9,17H,8H2,1-4H3.
What are the key properties of 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114364913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).