5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide

C16H21N5O2S — CID 154737512

IUPAC5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide
SMILESCc1scc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1C
InChIInChI=1S/C16H21N5O2S/c1-9-10(2)24-7-12(9)16(23)20-5-3-11(4-6-20)21-8-19-13(14(21)17)15(18)22/h7-8,11H,3-6,17H2,1-2H3,(H2,18,22)
InChIKeyBFKWOTRLQLZGML-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.72
Rot. Bonds3

About 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide

5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide (PubChem CID 154737512) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide
PubChem CID154737512
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide
SMILESCc1scc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1C
InChIInChI=1S/C16H21N5O2S/c1-9-10(2)24-7-12(9)16(23)20-5-3-11(4-6-20)21-8-19-13(14(21)17)15(18)22/h7-8,11H,3-6,17H2,1-2H3,(H2,18,22)
InChIKeyBFKWOTRLQLZGML-UHFFFAOYSA-N
XLogP1.72
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-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 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide (CID 154737512) is 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide is Cc1scc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1C.
What is the InChIKey of 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide?
The InChIKey is BFKWOTRLQLZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-9-10(2)24-7-12(9)16(23)20-5-3-11(4-6-20)21-8-19-13(14(21)17)15(18)22/h7-8,11H,3-6,17H2,1-2H3,(H2,18,22).
What are the key properties of 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide?
5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 154737512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).