5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C15H18FN3S — CID 120899075

IUPAC5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H18FN3S/c16-12-5-3-11(4-6-12)8-13-2-1-7-19(13)10-14-9-18-15(17)20-14/h3-6,9,13H,1-2,7-8,10H2,(H2,17,18)
InChIKeyFHVDXWYSWKVJQD-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.07
Rot. Bonds4

About 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120899075) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120899075
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H18FN3S/c16-12-5-3-11(4-6-12)8-13-2-1-7-19(13)10-14-9-18-15(17)20-14/h3-6,9,13H,1-2,7-8,10H2,(H2,17,18)
InChIKeyFHVDXWYSWKVJQD-UHFFFAOYSA-N
XLogP3.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120899075) is 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCCC2Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is FHVDXWYSWKVJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c16-12-5-3-11(4-6-12)8-13-2-1-7-19(13)10-14-9-18-15(17)20-14/h3-6,9,13H,1-2,7-8,10H2,(H2,17,18).
What are the key properties of 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120899075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).