N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

C16H12N4O6S — CID 90511972

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C16H12N4O6S/c21-14(18-16-17-10(8-27-16)11-2-1-5-25-11)9-6-19(7-9)15(22)12-3-4-13(26-12)20(23)24/h1-5,8-9H,6-7H2,(H,17,18,21)
InChIKeyHJQRVHNHAXBXNQ-UHFFFAOYSA-N
MW388.36 g/mol
LogP2.62
Rot. Bonds5

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511972) has the molecular formula C16H12N4O6S and a molecular weight of 388.36 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511972
Molecular FormulaC16H12N4O6S
Molecular Weight388.36 g/mol
Exact Mass388.05
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C16H12N4O6S/c21-14(18-16-17-10(8-27-16)11-2-1-5-25-11)9-6-19(7-9)15(22)12-3-4-13(26-12)20(23)24/h1-5,8-9H,6-7H2,(H,17,18,21)
InChIKeyHJQRVHNHAXBXNQ-UHFFFAOYSA-N
XLogP2.62
TPSA131.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512301
1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide
CID 71785385
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512250
1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51949489
methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512170
(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51930797
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
CID 90512311

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (CID 90511972) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is HJQRVHNHAXBXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O6S/c21-14(18-16-17-10(8-27-16)11-2-1-5-25-11)9-6-19(7-9)15(22)12-3-4-13(26-12)20(23)24/h1-5,8-9H,6-7H2,(H,17,18,21).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 388.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).