N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide

C15H12N6O3S — CID 1499153

IUPACN-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1snnc1C(=O)NN=Cc1ccco1
InChIInChI=1S/C15H12N6O3S/c22-13(20-16-9-11-7-4-8-24-11)12-14(25-21-19-12)18-15(23)17-10-5-2-1-3-6-10/h1-9H,(H,20,22)(H2,17,18,23)
InChIKeyJAUIFBCNTQOXFV-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.54
Rot. Bonds5

About N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide

N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide (PubChem CID 1499153) has the molecular formula C15H12N6O3S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide
PubChem CID1499153
Molecular FormulaC15H12N6O3S
Molecular Weight356.37 g/mol
Exact Mass356.07
IUPAC NameN-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1snnc1C(=O)NN=Cc1ccco1
InChIInChI=1S/C15H12N6O3S/c22-13(20-16-9-11-7-4-8-24-11)12-14(25-21-19-12)18-15(23)17-10-5-2-1-3-6-10/h1-9H,(H,20,22)(H2,17,18,23)
InChIKeyJAUIFBCNTQOXFV-UHFFFAOYSA-N
XLogP2.54
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
N-[anilino-[2-(furan-2-ylmethylidene)hydrazinyl]phosphoryl]aniline
CID 4054616
N-[(E)-furan-2-ylmethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6872092

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide (CID 1499153) is N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide is O=C(Nc1ccccc1)Nc1snnc1C(=O)NN=Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide?
The InChIKey is JAUIFBCNTQOXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3S/c22-13(20-16-9-11-7-4-8-24-11)12-14(25-21-19-12)18-15(23)17-10-5-2-1-3-6-10/h1-9H,(H,20,22)(H2,17,18,23).
What are the key properties of N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide?
N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide is sourced from PubChem (CID 1499153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).