N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H25N3O2S — CID 139911674

IUPACN-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESC/C(C=O)=C\c1c(C)nc2sc(C(=O)N(C)C3CCCCC3)c(C)n12
InChIInChI=1S/C19H25N3O2S/c1-12(11-23)10-16-13(2)20-19-22(16)14(3)17(25-19)18(24)21(4)15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b12-10+
InChIKeyUKGCYDXGHBQFNJ-ZRDIBKRKSA-N
MW359.50 g/mol
LogP4.02
Rot. Bonds4

About N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 139911674) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID139911674
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESC/C(C=O)=C\c1c(C)nc2sc(C(=O)N(C)C3CCCCC3)c(C)n12
InChIInChI=1S/C19H25N3O2S/c1-12(11-23)10-16-13(2)20-19-22(16)14(3)17(25-19)18(24)21(4)15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b12-10+
InChIKeyUKGCYDXGHBQFNJ-ZRDIBKRKSA-N
XLogP4.02
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-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-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 139911674) is N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is C/C(C=O)=C\c1c(C)nc2sc(C(=O)N(C)C3CCCCC3)c(C)n12.
What is the InChIKey of N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is UKGCYDXGHBQFNJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12(11-23)10-16-13(2)20-19-22(16)14(3)17(25-19)18(24)21(4)15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b12-10+.
What are the key properties of N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3,6-trimethyl-5-[(E)-2-methyl-3-oxoprop-1-enyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 139911674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).