4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole

C16H20N2S — CID 171106593

IUPAC4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole
SMILESCc1ncsc1-c1ccc(CC2CC(C)CN2)cc1
InChIInChI=1S/C16H20N2S/c1-11-7-15(17-9-11)8-13-3-5-14(6-4-13)16-12(2)18-10-19-16/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyVBHXETAWCNKJEP-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.66
Rot. Bonds3

About 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole

4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole (PubChem CID 171106593) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole
PubChem CID171106593
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole
SMILESCc1ncsc1-c1ccc(CC2CC(C)CN2)cc1
InChIInChI=1S/C16H20N2S/c1-11-7-15(17-9-11)8-13-3-5-14(6-4-13)16-12(2)18-10-19-16/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyVBHXETAWCNKJEP-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 178004749
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
CID 178063099
(2R)-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142305215
1-[(3R)-3-methylcyclopentyl]-3-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]but-3-en-1-one
CID 174007762
2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 155048065
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
4,4-dimethyl-1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidin-3-ol
CID 139020668
(3R)-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butan-1-one
CID 158073307

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole (CID 171106593) is 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole is Cc1ncsc1-c1ccc(CC2CC(C)CN2)cc1.
What is the InChIKey of 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole?
The InChIKey is VBHXETAWCNKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-7-15(17-9-11)8-13-3-5-14(6-4-13)16-12(2)18-10-19-16/h3-6,10-11,15,17H,7-9H2,1-2H3.
What are the key properties of 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole?
4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 171106593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).