N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide

C16H21N5O2S — CID 134080022

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
SMILESCN(C)c1nc(CNC(=O)C2CC(c3ccccc3O)NN2)cs1
InChIInChI=1S/C16H21N5O2S/c1-21(2)16-18-10(9-24-16)8-17-15(23)13-7-12(19-20-13)11-5-3-4-6-14(11)22/h3-6,9,12-13,19-20,22H,7-8H2,1-2H3,(H,17,23)
InChIKeyQOGBWZOPINCLCE-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.14
Rot. Bonds5

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 134080022) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
PubChem CID134080022
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
SMILESCN(C)c1nc(CNC(=O)C2CC(c3ccccc3O)NN2)cs1
InChIInChI=1S/C16H21N5O2S/c1-21(2)16-18-10(9-24-16)8-17-15(23)13-7-12(19-20-13)11-5-3-4-6-14(11)22/h3-6,9,12-13,19-20,22H,7-8H2,1-2H3,(H,17,23)
InChIKeyQOGBWZOPINCLCE-UHFFFAOYSA-N
XLogP1.14
TPSA89.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134080673
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
5-(4-hydroxyphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazolidine-3-carboxamide
CID 134077046
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
(1R,2R,3S,4R)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124864860
5-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazolidine-3-carboxamide
CID 134080669
N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605911
N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
CID 78640428
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
(2S)-1-benzyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91788449
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide (CID 134080022) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide is CN(C)c1nc(CNC(=O)C2CC(c3ccccc3O)NN2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is QOGBWZOPINCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-21(2)16-18-10(9-24-16)8-17-15(23)13-7-12(19-20-13)11-5-3-4-6-14(11)22/h3-6,9,12-13,19-20,22H,7-8H2,1-2H3,(H,17,23).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134080022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).