5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C14H18N4S — CID 120903406

IUPAC5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CC(c2cccnc2)N(Cc2cnc(N)s2)C1
InChIInChI=1S/C14H18N4S/c1-10-5-13(11-3-2-4-16-6-11)18(8-10)9-12-7-17-14(15)19-12/h2-4,6-7,10,13H,5,8-9H2,1H3,(H2,15,17)
InChIKeyFUEZHTHPJLOKSG-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.70
Rot. Bonds3

About 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120903406) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120903406
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CC(c2cccnc2)N(Cc2cnc(N)s2)C1
InChIInChI=1S/C14H18N4S/c1-10-5-13(11-3-2-4-16-6-11)18(8-10)9-12-7-17-14(15)19-12/h2-4,6-7,10,13H,5,8-9H2,1H3,(H2,15,17)
InChIKeyFUEZHTHPJLOKSG-UHFFFAOYSA-N
XLogP2.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 99832102
2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 99788164
3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 167990187
2-methoxy-4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenol
CID 99842894
3-[(2S,4S)-1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-4-methylpyrrolidin-2-yl]pyridine
CID 99791847
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120898937
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87629601
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136558630
5-[(2-methyl-6-phenylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120899230

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 120903406) is 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is CC1CC(c2cccnc2)N(Cc2cnc(N)s2)C1.
What is the InChIKey of 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FUEZHTHPJLOKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10-5-13(11-3-2-4-16-6-11)18(8-10)9-12-7-17-14(15)19-12/h2-4,6-7,10,13H,5,8-9H2,1H3,(H2,15,17).
What are the key properties of 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).