5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine

C14H16FN3S — CID 88927634

IUPAC5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine
SMILESNc1ncc(C(c2ccccc2F)N2CCCC2)s1
InChIInChI=1S/C14H16FN3S/c15-11-6-2-1-5-10(11)13(18-7-3-4-8-18)12-9-17-14(16)19-12/h1-2,5-6,9,13H,3-4,7-8H2,(H2,16,17)
InChIKeyWTWAWZAXFFAYCP-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.05
Rot. Bonds3

About 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine

5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine (PubChem CID 88927634) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine
PubChem CID88927634
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine
SMILESNc1ncc(C(c2ccccc2F)N2CCCC2)s1
InChIInChI=1S/C14H16FN3S/c15-11-6-2-1-5-10(11)13(18-7-3-4-8-18)12-9-17-14(16)19-12/h1-2,5-6,9,13H,3-4,7-8H2,(H2,16,17)
InChIKeyWTWAWZAXFFAYCP-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3756282
5-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7198963
2-ethyl-5-[(R)-(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293482
N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide
CID 88932342
1-[1,3-benzothiazol-2-yl-(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3958005
(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574
1-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 5177202
1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 92787321
1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 166326924
N-[5-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-yl]-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 88927572
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
1-[(R)-(2-fluorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide
CID 7199345

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine (CID 88927634) is 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine is Nc1ncc(C(c2ccccc2F)N2CCCC2)s1.
What is the InChIKey of 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine?
The InChIKey is WTWAWZAXFFAYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c15-11-6-2-1-5-10(11)13(18-7-3-4-8-18)12-9-17-14(16)19-12/h1-2,5-6,9,13H,3-4,7-8H2,(H2,16,17).
What are the key properties of 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine?
5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88927634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).