N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide

C16H20N4OS — CID 119937384

IUPACN-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H20N4OS/c21-16(8-14-12-22-7-6-17-14)19-15-9-18-20(11-15)10-13-4-2-1-3-5-13/h1-5,9,11,14,17H,6-8,10,12H2,(H,19,21)
InChIKeyWTMXPQZXOJSUOL-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.97
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide

N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119937384) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119937384
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H20N4OS/c21-16(8-14-12-22-7-6-17-14)19-15-9-18-20(11-15)10-13-4-2-1-3-5-13/h1-5,9,11,14,17H,6-8,10,12H2,(H,19,21)
InChIKeyWTMXPQZXOJSUOL-UHFFFAOYSA-N
XLogP1.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942368
N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119936075
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-(1-benzylpyrazol-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]acetamide
CID 138048170
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97016106
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide (CID 119937384) is N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is WTMXPQZXOJSUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(8-14-12-22-7-6-17-14)19-15-9-18-20(11-15)10-13-4-2-1-3-5-13/h1-5,9,11,14,17H,6-8,10,12H2,(H,19,21).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 316.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).