4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine

C15H18FN3S — CID 175255827

IUPAC4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(N2CCCC2C)c(F)c1
InChIInChI=1S/C15H18FN3S/c1-9-4-3-7-19(9)13-6-5-11(8-12(13)16)14-10(2)20-15(17)18-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18)
InChIKeyYSZNSYUOQOBFOV-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.83
Rot. Bonds2

About 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine

4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 175255827) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID175255827
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(N2CCCC2C)c(F)c1
InChIInChI=1S/C15H18FN3S/c1-9-4-3-7-19(9)13-6-5-11(8-12(13)16)14-10(2)20-15(17)18-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18)
InChIKeyYSZNSYUOQOBFOV-UHFFFAOYSA-N
XLogP3.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine (CID 175255827) is 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc(N2CCCC2C)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is YSZNSYUOQOBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-9-4-3-7-19(9)13-6-5-11(8-12(13)16)14-10(2)20-15(17)18-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18).
What are the key properties of 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine?
4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175255827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).