N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H20N4O2S — CID 46991497

IUPACN-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cnc(CN(C)C(=O)C(C)(C)NC(=O)c2cccs2)[nH]1
InChIInChI=1S/C15H20N4O2S/c1-10-8-16-12(17-10)9-19(4)14(21)15(2,3)18-13(20)11-6-5-7-22-11/h5-8H,9H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyCFEPTDYBGNNGBB-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.95
Rot. Bonds5

About N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46991497) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46991497
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cnc(CN(C)C(=O)C(C)(C)NC(=O)c2cccs2)[nH]1
InChIInChI=1S/C15H20N4O2S/c1-10-8-16-12(17-10)9-19(4)14(21)15(2,3)18-13(20)11-6-5-7-22-11/h5-8H,9H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyCFEPTDYBGNNGBB-UHFFFAOYSA-N
XLogP1.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]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

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46991497) is N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1cnc(CN(C)C(=O)C(C)(C)NC(=O)c2cccs2)[nH]1.
What is the InChIKey of N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is CFEPTDYBGNNGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-8-16-12(17-10)9-19(4)14(21)15(2,3)18-13(20)11-6-5-7-22-11/h5-8H,9H2,1-4H3,(H,16,17)(H,18,20).
What are the key properties of N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46991497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).