(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone

C14H14N2O2S — CID 138695861

IUPAC(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1cccc(O)c1)c1csc([C@@H]2CCCN2)n1
InChIInChI=1S/C14H14N2O2S/c17-10-4-1-3-9(7-10)13(18)12-8-19-14(16-12)11-5-2-6-15-11/h1,3-4,7-8,11,15,17H,2,5-6H2/t11-/m0/s1
InChIKeySLLOFTULXZNCBH-NSHDSACASA-N
MW274.34 g/mol
LogP2.50
Rot. Bonds3

About (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone

(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone (PubChem CID 138695861) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
PubChem CID138695861
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1cccc(O)c1)c1csc([C@@H]2CCCN2)n1
InChIInChI=1S/C14H14N2O2S/c17-10-4-1-3-9(7-10)13(18)12-8-19-14(16-12)11-5-2-6-15-11/h1,3-4,7-8,11,15,17H,2,5-6H2/t11-/m0/s1
InChIKeySLLOFTULXZNCBH-NSHDSACASA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride
CID 162349114
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3698377
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3357908
N-[(1S)-1-cyclohexyl-2-[2-[4-(3-hydroxybenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]propanamide
CID 167380255
N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3700307
tert-butyl N-[1-cyclohexyl-2-[2-[4-(3-hydroxybenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 146158007
2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 101261624
2-pyrrolidin-2-yl-1,3-benzothiazole-6-carboxylic acid
CID 82383424
2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4254038
3-[(2S)-piperidin-2-yl]phenol
CID 55277853

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone (CID 138695861) is (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone is O=C(c1cccc(O)c1)c1csc([C@@H]2CCCN2)n1.
What is the InChIKey of (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
The InChIKey is SLLOFTULXZNCBH-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-10-4-1-3-9(7-10)13(18)12-8-19-14(16-12)11-5-2-6-15-11/h1,3-4,7-8,11,15,17H,2,5-6H2/t11-/m0/s1.
What are the key properties of (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone has a molecular weight of 274.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 138695861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).