2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole

C13H15N3S — CID 114456781

IUPAC2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESc1cc(Cc2nc(C3CCCN3)cs2)ccn1
InChIInChI=1S/C13H15N3S/c1-2-11(15-5-1)12-9-17-13(16-12)8-10-3-6-14-7-4-10/h3-4,6-7,9,11,15H,1-2,5,8H2
InChIKeyWEQPJJICGUKGLJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.55
Rot. Bonds3

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

2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 114456781) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID114456781
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESc1cc(Cc2nc(C3CCCN3)cs2)ccn1
InChIInChI=1S/C13H15N3S/c1-2-11(15-5-1)12-9-17-13(16-12)8-10-3-6-14-7-4-10/h3-4,6-7,9,11,15H,1-2,5,8H2
InChIKeyWEQPJJICGUKGLJ-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-pyrrolidin-2-yl]-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 104928655
2-[(3-fluorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928674
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-[(2-chlorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928707
2-[(2-chlorophenyl)methyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456818
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 104928834

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole (CID 114456781) is 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole is c1cc(Cc2nc(C3CCCN3)cs2)ccn1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is WEQPJJICGUKGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-11(15-5-1)12-9-17-13(16-12)8-10-3-6-14-7-4-10/h3-4,6-7,9,11,15H,1-2,5,8H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole?
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 245.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 114456781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).