N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

C17H19F3N6OS — CID 89091352

IUPACN-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C/C=C(\N=C(/N)C(C)(C)C(F)(F)F)c1sc(NC(=O)n2ccnc2)nc1C
InChIInChI=1S/C17H19F3N6OS/c1-5-6-11(24-13(21)16(3,4)17(18,19)20)12-10(2)23-14(28-12)25-15(27)26-8-7-22-9-26/h5-9H,1H2,2-4H3,(H2,21,24)(H,23,25,27)/b11-6-
InChIKeyUAYUTSVUNREXGL-WDZFZDKYSA-N
MW412.44 g/mol
LogP4.20
Rot. Bonds5

About N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 89091352) has the molecular formula C17H19F3N6OS and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID89091352
Molecular FormulaC17H19F3N6OS
Molecular Weight412.44 g/mol
Exact Mass412.13
IUPAC NameN-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C/C=C(\N=C(/N)C(C)(C)C(F)(F)F)c1sc(NC(=O)n2ccnc2)nc1C
InChIInChI=1S/C17H19F3N6OS/c1-5-6-11(24-13(21)16(3,4)17(18,19)20)12-10(2)23-14(28-12)25-15(27)26-8-7-22-9-26/h5-9H,1H2,2-4H3,(H2,21,24)(H,23,25,27)/b11-6-
InChIKeyUAYUTSVUNREXGL-WDZFZDKYSA-N
XLogP4.20
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-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-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 89091352) is N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is C=C/C=C(\N=C(/N)C(C)(C)C(F)(F)F)c1sc(NC(=O)n2ccnc2)nc1C.
What is the InChIKey of N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is UAYUTSVUNREXGL-WDZFZDKYSA-N. The full InChI is InChI=1S/C17H19F3N6OS/c1-5-6-11(24-13(21)16(3,4)17(18,19)20)12-10(2)23-14(28-12)25-15(27)26-8-7-22-9-26/h5-9H,1H2,2-4H3,(H2,21,24)(H,23,25,27)/b11-6-.
What are the key properties of N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1Z)-1-[(1-amino-3,3,3-trifluoro-2,2-dimethylpropylidene)amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 89091352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).