5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol

C14H17N3O2S — CID 178187467

IUPAC5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol
SMILESCOc1ccc(C2NNCC2c2cnc(C)s2)c(O)c1
InChIInChI=1S/C14H17N3O2S/c1-8-15-7-13(20-8)11-6-16-17-14(11)10-4-3-9(19-2)5-12(10)18/h3-5,7,11,14,16-18H,6H2,1-2H3
InChIKeyKLIYYQNPZIMLKJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.10
Rot. Bonds3

About 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol

5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol (PubChem CID 178187467) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol
PubChem CID178187467
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol
SMILESCOc1ccc(C2NNCC2c2cnc(C)s2)c(O)c1
InChIInChI=1S/C14H17N3O2S/c1-8-15-7-13(20-8)11-6-16-17-14(11)10-4-3-9(19-2)5-12(10)18/h3-5,7,11,14,16-18H,6H2,1-2H3
InChIKeyKLIYYQNPZIMLKJ-UHFFFAOYSA-N
XLogP2.10
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[(4R)-4-methylimidazolidin-2-yl]phenol
CID 134693745
5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 164664263
5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol
CID 156590486
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-5-methoxyphenol
CID 74802815
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
(2R,4S)-2-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 7021328
2-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 2737755
6-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79366862
(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113223365
2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 164643654

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol?
The IUPAC name of 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol (CID 178187467) is 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol?
The canonical SMILES for 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol is COc1ccc(C2NNCC2c2cnc(C)s2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol?
The InChIKey is KLIYYQNPZIMLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-15-7-13(20-8)11-6-16-17-14(11)10-4-3-9(19-2)5-12(10)18/h3-5,7,11,14,16-18H,6H2,1-2H3.
What are the key properties of 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol?
5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol has a molecular weight of 291.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazolidin-3-yl]phenol is sourced from PubChem (CID 178187467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).