N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide

C11H9N3O3S2 — CID 3132665

IUPACN-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)NNC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C11H9N3O3S2/c15-9(7-3-1-5-17-7)12-11(18)14-13-10(16)8-4-2-6-19-8/h1-6H,(H,13,16)(H2,12,14,15,18)
InChIKeyAYHGIEHEFRUORL-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.29
Rot. Bonds2

About N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide

N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide (PubChem CID 3132665) has the molecular formula C11H9N3O3S2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide
PubChem CID3132665
Molecular FormulaC11H9N3O3S2
Molecular Weight295.35 g/mol
Exact Mass295.01
IUPAC NameN-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)NNC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C11H9N3O3S2/c15-9(7-3-1-5-17-7)12-11(18)14-13-10(16)8-4-2-6-19-8/h1-6H,(H,13,16)(H2,12,14,15,18)
InChIKeyAYHGIEHEFRUORL-UHFFFAOYSA-N
XLogP1.29
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(thiophen-2-ylcarbonyl)furan-2-carbohydrazide
CID 809206
N-(2-furylmethyl)-2-(2-thienylacetyl)hydrazinecarbothioamide
CID 970323
N'2-(2-furylcarbonyl)-3-ethoxythiophene-2-carbohydrazide
CID 2808428
5-bromo-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
CID 1790448
N-[N'-(Furan-2-carbonyl)-hydrazinocarbothioyl]-3-furan-2-yl-acrylamide
CID 5763832
N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]furan-2-carboxamide
CID 1932917
N-(2-furylmethyl)-2-(2-thienylcarbonyl)hydrazinecarbothioamide
CID 1854633
2-[(5-chloro-2-thienyl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamide
CID 970121
1-(Furan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 3518148
N-(2-Thienylmethyl)-2-furancarboxamide
CID 844294
N-[(carbamothioylamino)carbamothioyl]furan-2-carboxamide
CID 3004916
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 1080986

Frequently Asked Questions

What is the IUPAC name of N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide (CID 3132665) is N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)NNC(=O)c1cccs1)c1ccco1.
What is the InChIKey of N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide?
The InChIKey is AYHGIEHEFRUORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S2/c15-9(7-3-1-5-17-7)12-11(18)14-13-10(16)8-4-2-6-19-8/h1-6H,(H,13,16)(H2,12,14,15,18).
What are the key properties of N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide?
N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(thiophene-2-carbonylamino)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 3132665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).