1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol

C15H18N2OS — CID 135101410

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCc1csc(CN2CCC(O)(c3ccccc3)C2)n1
InChIInChI=1S/C15H18N2OS/c1-12-10-19-14(16-12)9-17-8-7-15(18,11-17)13-5-3-2-4-6-13/h2-6,10,18H,7-9,11H2,1H3
InChIKeySTFMJWJCZKSUHY-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.55
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 135101410) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID135101410
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCc1csc(CN2CCC(O)(c3ccccc3)C2)n1
InChIInChI=1S/C15H18N2OS/c1-12-10-19-14(16-12)9-17-8-7-15(18,11-17)13-5-3-2-4-6-13/h2-6,10,18H,7-9,11H2,1H3
InChIKeySTFMJWJCZKSUHY-UHFFFAOYSA-N
XLogP2.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 70781851
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56710630
(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 124753933
1-[1-[[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 42859164
(4S,5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485043
N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 13345423
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride
CID 121067613
1-[1-[[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 42859167

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol (CID 135101410) is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol is Cc1csc(CN2CCC(O)(c3ccccc3)C2)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is STFMJWJCZKSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12-10-19-14(16-12)9-17-8-7-15(18,11-17)13-5-3-2-4-6-13/h2-6,10,18H,7-9,11H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol?
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 274.39 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 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 135101410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).