N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C14H11ClN4O2S — CID 7237997

IUPACN-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)s1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C14H11ClN4O2S/c15-13-5-3-11(22-13)8-16-18-14(20)12-4-2-10(21-12)9-19-7-1-6-17-19/h1-8H,9H2,(H,18,20)/b16-8+
InChIKeyCNAQZNGLGYCUIQ-LZYBPNLTSA-N
MW334.79 g/mol
LogP3.00
Rot. Bonds5

About N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 7237997) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID7237997
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC NameN-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)s1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C14H11ClN4O2S/c15-13-5-3-11(22-13)8-16-18-14(20)12-4-2-10(21-12)9-19-7-1-6-17-19/h1-8H,9H2,(H,18,20)/b16-8+
InChIKeyCNAQZNGLGYCUIQ-LZYBPNLTSA-N
XLogP3.00
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 6873458
N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 6873340
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 4192848
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 9350236

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 7237997) is N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(N/N=C/c1ccc(Cl)s1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is CNAQZNGLGYCUIQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c15-13-5-3-11(22-13)8-16-18-14(20)12-4-2-10(21-12)9-19-7-1-6-17-19/h1-8H,9H2,(H,18,20)/b16-8+.
What are the key properties of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 334.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 7237997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).