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

C18H24N6O2S — CID 122255088

IUPAC4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H24N6O2S/c1-13-10-14(27-12-13)16(25)19-11-15-20-17(23-4-2-3-5-23)22-18(21-15)24-6-8-26-9-7-24/h10,12H,2-9,11H2,1H3,(H,19,25)
InChIKeyIHZKVLUXAWFQQH-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.61
Rot. Bonds5

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

4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 122255088) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID122255088
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H24N6O2S/c1-13-10-14(27-12-13)16(25)19-11-15-20-17(23-4-2-3-5-23)22-18(21-15)24-6-8-26-9-7-24/h10,12H,2-9,11H2,1H3,(H,19,25)
InChIKeyIHZKVLUXAWFQQH-UHFFFAOYSA-N
XLogP1.61
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide 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-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 121137717
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955
2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121138152
2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255058
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyridine-2-carboxamide
CID 122255004
4-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
CID 122294149
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
3-methoxy-1-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyrazole-4-carboxamide
CID 122255083
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255103
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122317877

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide (CID 122255088) is 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is IHZKVLUXAWFQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13-10-14(27-12-13)16(25)19-11-15-20-17(23-4-2-3-5-23)22-18(21-15)24-6-8-26-9-7-24/h10,12H,2-9,11H2,1H3,(H,19,25).
What are the key properties of 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide?
4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122255088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).