4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole

C15H19N3S — CID 125019372

IUPAC4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C[C@H]3CCNC3)cn2)sc1C
InChIInChI=1S/C15H19N3S/c1-10-11(2)19-15(18-10)14-4-3-12(9-17-14)7-13-5-6-16-8-13/h3-4,9,13,16H,5-8H2,1-2H3/t13-/m1/s1
InChIKeyXVNLYYFBASLQMQ-CYBMUJFWSA-N
MW273.40 g/mol
LogP2.97
Rot. Bonds3

About 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole

4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole (PubChem CID 125019372) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole
PubChem CID125019372
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C[C@H]3CCNC3)cn2)sc1C
InChIInChI=1S/C15H19N3S/c1-10-11(2)19-15(18-10)14-4-3-12(9-17-14)7-13-5-6-16-8-13/h3-4,9,13,16H,5-8H2,1-2H3/t13-/m1/s1
InChIKeyXVNLYYFBASLQMQ-CYBMUJFWSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
CID 110102053
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 132649098
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
2-imidazol-1-yl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 124980656
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105440268
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
3-methyl-5-(pyrrolidin-3-ylmethyl)-2H-indazole
CID 84784140

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole (CID 125019372) is 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole is Cc1nc(-c2ccc(C[C@H]3CCNC3)cn2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is XVNLYYFBASLQMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-11(2)19-15(18-10)14-4-3-12(9-17-14)7-13-5-6-16-8-13/h3-4,9,13,16H,5-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole?
4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 273.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[5-[[(3S)-pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 125019372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).