2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

C16H20N4O2S — CID 26318157

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2cccnc2N2CCOCC2)cs1
InChIInChI=1S/C16H20N4O2S/c1-12-19-14(11-23-12)9-15(21)18-10-13-3-2-4-17-16(13)20-5-7-22-8-6-20/h2-4,11H,5-10H2,1H3,(H,18,21)
InChIKeyMCCDYIHZHBDACA-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.54
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (PubChem CID 26318157) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
PubChem CID26318157
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2cccnc2N2CCOCC2)cs1
InChIInChI=1S/C16H20N4O2S/c1-12-19-14(11-23-12)9-15(21)18-10-13-3-2-4-17-16(13)20-5-7-22-8-6-20/h2-4,11H,5-10H2,1H3,(H,18,21)
InChIKeyMCCDYIHZHBDACA-UHFFFAOYSA-N
XLogP1.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea
CID 49846369
ethyl 5-[2-[2-[2-(diethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 9981456
ethyl 5-[2-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 10250263
Ethyl 2-methyl-6-oxo-5-(2-(2-(amino)-4-pyridinyl)-1,3-thiazol-4-yl)-1,6-dihydro-3-pyridinecarboxylate
CID 10405971
Ethyl 2-methyl-5-(2-(2-((2-methylpropyl)amino)-4-pyridinyl)-1,3-thiazol-4-yl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CID 11742422
N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980108
N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980231
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
1-(2-Methoxyethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
CID 49846136
1-[4-Methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]-3-(2-propoxyethyl)urea
CID 49846291
1-(2-Ethoxyethyl)-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
CID 49847243
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 121476884

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (CID 26318157) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is Cc1nc(CC(=O)NCc2cccnc2N2CCOCC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is MCCDYIHZHBDACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-19-14(11-23-12)9-15(21)18-10-13-3-2-4-17-16(13)20-5-7-22-8-6-20/h2-4,11H,5-10H2,1H3,(H,18,21).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 26318157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).