2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole

C14H17N3S — CID 114269459

IUPAC2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1cc(C)nc(-c2nc(C3CCCN3)cs2)c1
InChIInChI=1S/C14H17N3S/c1-9-6-10(2)16-12(7-9)14-17-13(8-18-14)11-4-3-5-15-11/h6-8,11,15H,3-5H2,1-2H3
InChIKeyAYVWADNWTWWZFV-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.25
Rot. Bonds2

About 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole

2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 114269459) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID114269459
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1cc(C)nc(-c2nc(C3CCCN3)cs2)c1
InChIInChI=1S/C14H17N3S/c1-9-6-10(2)16-12(7-9)14-17-13(8-18-14)11-4-3-5-15-11/h6-8,11,15H,3-5H2,1-2H3
InChIKeyAYVWADNWTWWZFV-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862
2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928656
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
N-methyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704146
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole (CID 114269459) is 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole is Cc1cc(C)nc(-c2nc(C3CCCN3)cs2)c1.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is AYVWADNWTWWZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-9-6-10(2)16-12(7-9)14-17-13(8-18-14)11-4-3-5-15-11/h6-8,11,15H,3-5H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole?
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 114269459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).