(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol

C14H17N3OS — CID 111123242

IUPAC(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2csc(Nc3ccccc3)n2)C1
InChIInChI=1S/C14H17N3OS/c18-13-6-7-17(9-13)8-12-10-19-14(16-12)15-11-4-2-1-3-5-11/h1-5,10,13,18H,6-9H2,(H,15,16)/t13-/m0/s1
InChIKeyGLCRIQHYSGRBFZ-ZDUSSCGKSA-N
MW275.38 g/mol
LogP2.45
Rot. Bonds4

About (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol

(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 111123242) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID111123242
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2csc(Nc3ccccc3)n2)C1
InChIInChI=1S/C14H17N3OS/c18-13-6-7-17(9-13)8-12-10-19-14(16-12)15-11-4-2-1-3-5-11/h1-5,10,13,18H,6-9H2,(H,15,16)/t13-/m0/s1
InChIKeyGLCRIQHYSGRBFZ-ZDUSSCGKSA-N
XLogP2.45
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-ol
CID 58791597
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
ethyl 4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
CID 39894500
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
N-phenyl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 51969900
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol
CID 56813292
2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol (CID 111123242) is (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol is O[C@H]1CCN(Cc2csc(Nc3ccccc3)n2)C1.
What is the InChIKey of (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is GLCRIQHYSGRBFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13-6-7-17(9-13)8-12-10-19-14(16-12)15-11-4-2-1-3-5-11/h1-5,10,13,18H,6-9H2,(H,15,16)/t13-/m0/s1.
What are the key properties of (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol?
(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 275.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 111123242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).