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

C15H17FN2S — CID 107932051

IUPAC1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(C)ccc2F)nc1C1CC1
InChIInChI=1S/C15H17FN2S/c1-9-3-6-12(16)11(7-9)15-18-14(10-4-5-10)13(19-15)8-17-2/h3,6-7,10,17H,4-5,8H2,1-2H3
InChIKeySCGBFMWHYRCSFL-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.85
Rot. Bonds4

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

1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 107932051) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID107932051
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cc(C)ccc2F)nc1C1CC1
InChIInChI=1S/C15H17FN2S/c1-9-3-6-12(16)11(7-9)15-18-14(10-4-5-10)13(19-15)8-17-2/h3,6-7,10,17H,4-5,8H2,1-2H3
InChIKeySCGBFMWHYRCSFL-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 107932051) is 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2cc(C)ccc2F)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is SCGBFMWHYRCSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-9-3-6-12(16)11(7-9)15-18-14(10-4-5-10)13(19-15)8-17-2/h3,6-7,10,17H,4-5,8H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 107932051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).