N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide

C15H13N5O3S — CID 122133981

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)c2cnsn2)cc1
InChIInChI=1S/C15H13N5O3S/c21-14(13-9-17-24-20-13)18-10-3-5-11(6-4-10)19-15(22)16-8-12-2-1-7-23-12/h1-7,9H,8H2,(H,18,21)(H2,16,19,22)
InChIKeyQXUQBFAWEBLVIJ-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.71
Rot. Bonds5

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 122133981) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID122133981
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)c2cnsn2)cc1
InChIInChI=1S/C15H13N5O3S/c21-14(13-9-17-24-20-13)18-10-3-5-11(6-4-10)19-15(22)16-8-12-2-1-7-23-12/h1-7,9H,8H2,(H,18,21)(H2,16,19,22)
InChIKeyQXUQBFAWEBLVIJ-UHFFFAOYSA-N
XLogP2.71
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 35336042
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
5-cyclopropyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 34110514
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 35335808
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 134050707
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 29367366

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide (CID 122133981) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide is O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cnsn2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is QXUQBFAWEBLVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c21-14(13-9-17-24-20-13)18-10-3-5-11(6-4-10)19-15(22)16-8-12-2-1-7-23-12/h1-7,9H,8H2,(H,18,21)(H2,16,19,22).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 122133981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).