2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole

C14H15FN2S — CID 116888776

IUPAC2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESFc1ccccc1-c1nc(CC2CCNC2)cs1
InChIInChI=1S/C14H15FN2S/c15-13-4-2-1-3-12(13)14-17-11(9-18-14)7-10-5-6-16-8-10/h1-4,9-10,16H,5-8H2
InChIKeyMZWNJJUHZDWKHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole

2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 116888776) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID116888776
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESFc1ccccc1-c1nc(CC2CCNC2)cs1
InChIInChI=1S/C14H15FN2S/c15-13-4-2-1-3-12(13)14-17-11(9-18-14)7-10-5-6-16-8-10/h1-4,9-10,16H,5-8H2
InChIKeyMZWNJJUHZDWKHY-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734
2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888781
4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988830
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
4-fluoro-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84628386
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116888824
4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988832
2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885078
2-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 95472479

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 116888776) is 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is Fc1ccccc1-c1nc(CC2CCNC2)cs1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is MZWNJJUHZDWKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-13-4-2-1-3-12(13)14-17-11(9-18-14)7-10-5-6-16-8-10/h1-4,9-10,16H,5-8H2.
What are the key properties of 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 262.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116888776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).