5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide

C16H19N5O4S — CID 122253859

IUPAC5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
SMILESCOc1nc(CNC(=O)c2ccc(C(C)=O)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O4S/c1-10(22)11-3-4-12(26-11)14(23)17-9-13-18-15(20-16(19-13)24-2)21-5-7-25-8-6-21/h3-4H,5-9H2,1-2H3,(H,17,23)
InChIKeyILDFSVHGDTVHMO-UHFFFAOYSA-N
MW377.43 g/mol
LogP0.91
Rot. Bonds6

About 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide

5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 122253859) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID122253859
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
SMILESCOc1nc(CNC(=O)c2ccc(C(C)=O)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O4S/c1-10(22)11-3-4-12(26-11)14(23)17-9-13-18-15(20-16(19-13)24-2)21-5-7-25-8-6-21/h3-4H,5-9H2,1-2H3,(H,17,23)
InChIKeyILDFSVHGDTVHMO-UHFFFAOYSA-N
XLogP0.91
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253694
4-ethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253693
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 122253721
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
CID 121137782
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122253837
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
5-(furan-2-yl)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253794
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
CID 122253832
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122253835
N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122253924
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide (CID 122253859) is 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide is COc1nc(CNC(=O)c2ccc(C(C)=O)s2)nc(N2CCOCC2)n1.
What is the InChIKey of 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ILDFSVHGDTVHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-10(22)11-3-4-12(26-11)14(23)17-9-13-18-15(20-16(19-13)24-2)21-5-7-25-8-6-21/h3-4H,5-9H2,1-2H3,(H,17,23).
What are the key properties of 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122253859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).