N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide

C15H20N6O2S — CID 111042852

IUPACN-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
SMILESN/C(=N\CCNC(=O)c1ccco1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N6O2S/c16-14(18-4-3-17-13(22)12-2-1-10-23-12)20-6-8-21(9-7-20)15-19-5-11-24-15/h1-2,5,10-11H,3-4,6-9H2,(H2,16,18)(H,17,22)
InChIKeyTYGZMNMHCVXUFE-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.60
Rot. Bonds5

About N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide

N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide (PubChem CID 111042852) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
PubChem CID111042852
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
SMILESN/C(=N\CCNC(=O)c1ccco1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N6O2S/c16-14(18-4-3-17-13(22)12-2-1-10-23-12)20-6-8-21(9-7-20)15-19-5-11-24-15/h1-2,5,10-11H,3-4,6-9H2,(H2,16,18)(H,17,22)
InChIKeyTYGZMNMHCVXUFE-UHFFFAOYSA-N
XLogP0.60
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
CID 111042840
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442
4-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N-butylbenzamide
CID 111070846
N'-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111035438
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
N'-(2-phenylmethoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111600690
4-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N-ethylbenzamide
CID 111048544
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111028674
3-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111058866
methyl 5-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]pentanoate
CID 111086175
N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111092153

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide (CID 111042852) is N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide is N/C(=N\CCNC(=O)c1ccco1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
The InChIKey is TYGZMNMHCVXUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c16-14(18-4-3-17-13(22)12-2-1-10-23-12)20-6-8-21(9-7-20)15-19-5-11-24-15/h1-2,5,10-11H,3-4,6-9H2,(H2,16,18)(H,17,22).
What are the key properties of N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111042852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).