2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

C10H12N4O2S — CID 60736231

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H12N4O2S/c1-7-6-17-10(16)14(7)5-9(15)11-2-8-3-12-13-4-8/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,13)
InChIKeyDDNRVUNZQAVUCN-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.26
Rot. Bonds4

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 60736231) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID60736231
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H12N4O2S/c1-7-6-17-10(16)14(7)5-9(15)11-2-8-3-12-13-4-8/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,13)
InChIKeyDDNRVUNZQAVUCN-UHFFFAOYSA-N
XLogP0.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 123690849
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429369
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429562
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)butanamide
CID 43429616
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 45814595
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-yl)propanamide
CID 53504411
2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 54897114
2-oxo-2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982090
2-(1,4-diazepan-1-yl)-2-oxo-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982091
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735784
2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylmethylamino)propan-2-yl]propanamide
CID 60735821
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735960

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 60736231) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is Cc1csc(=O)n1CC(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is DDNRVUNZQAVUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-6-17-10(16)14(7)5-9(15)11-2-8-3-12-13-4-8/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,13).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 252.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 60736231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).