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

C17H23N7OS — CID 89091240

IUPACN-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C/C=C(\N=C(/N)N(CC)CC)c1sc(NC(=O)n2ccnc2)nc1C
InChIInChI=1S/C17H23N7OS/c1-5-8-13(21-15(18)23(6-2)7-3)14-12(4)20-16(26-14)22-17(25)24-10-9-19-11-24/h5,8-11H,1,6-7H2,2-4H3,(H2,18,21)(H,20,22,25)/b13-8-
InChIKeyDENOAXLITCNXGO-JYRVWZFOSA-N
MW373.49 g/mol
LogP2.91
Rot. Bonds6

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

N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 89091240) has the molecular formula C17H23N7OS and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
PubChem CID89091240
Molecular FormulaC17H23N7OS
Molecular Weight373.49 g/mol
Exact Mass373.17
IUPAC NameN-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
SMILESC=C/C=C(\N=C(/N)N(CC)CC)c1sc(NC(=O)n2ccnc2)nc1C
InChIInChI=1S/C17H23N7OS/c1-5-8-13(21-15(18)23(6-2)7-3)14-12(4)20-16(26-14)22-17(25)24-10-9-19-11-24/h5,8-11H,1,6-7H2,2-4H3,(H2,18,21)(H,20,22,25)/b13-8-
InChIKeyDENOAXLITCNXGO-JYRVWZFOSA-N
XLogP2.91
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.91
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 89091240) is N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]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-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is C=C/C=C(\N=C(/N)N(CC)CC)c1sc(NC(=O)n2ccnc2)nc1C.
What is the InChIKey of N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
The InChIKey is DENOAXLITCNXGO-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H23N7OS/c1-5-8-13(21-15(18)23(6-2)7-3)14-12(4)20-16(26-14)22-17(25)24-10-9-19-11-24/h5,8-11H,1,6-7H2,2-4H3,(H2,18,21)(H,20,22,25)/b13-8-.
What are the key properties of N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide?
N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 373.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1Z)-1-[[amino(diethylamino)methylidene]amino]buta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 89091240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).