2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C16H18N4O2S — CID 17397065

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CSCC1=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C16H18N4O2S/c21-15(10-19-12-23-11-16(19)22)17-8-13-4-1-2-5-14(13)9-20-7-3-6-18-20/h1-7H,8-12H2,(H,17,21)
InChIKeyUSRCDCUGIREZNC-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.08
Rot. Bonds6

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 17397065) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID17397065
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CSCC1=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C16H18N4O2S/c21-15(10-19-12-23-11-16(19)22)17-8-13-4-1-2-5-14(13)9-20-7-3-6-18-20/h1-7H,8-12H2,(H,17,21)
InChIKeyUSRCDCUGIREZNC-UHFFFAOYSA-N
XLogP1.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9209720
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 124504969
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
2-(2-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419267
4-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 41419274
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide
CID 24612713
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884019

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 17397065) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CN1CSCC1=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is USRCDCUGIREZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-15(10-19-12-23-11-16(19)22)17-8-13-4-1-2-5-14(13)9-20-7-3-6-18-20/h1-7H,8-12H2,(H,17,21).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17397065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).