1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea

C24H20N6O2S2 — CID 15682850

IUPAC1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea
SMILESS=C(N/N=C(C(=N/NC(=S)Nc1ccccc1)/c1ccco1)\c1ccco1)Nc1ccccc1
InChIInChI=1S/C24H20N6O2S2/c33-23(25-17-9-3-1-4-10-17)29-27-21(19-13-7-15-31-19)22(20-14-8-16-32-20)28-30-24(34)26-18-11-5-2-6-12-18/h1-16H,(H2,25,29,33)(H2,26,30,34)/b27-21+,28-22+
InChIKeyUJDFYASSMHFAJO-GPAWKIAZSA-N
MW488.60 g/mol
LogP4.95
Rot. Bonds7

About 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea

1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea (PubChem CID 15682850) has the molecular formula C24H20N6O2S2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea
PubChem CID15682850
Molecular FormulaC24H20N6O2S2
Molecular Weight488.60 g/mol
Exact Mass488.11
IUPAC Name1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea
SMILESS=C(N/N=C(C(=N/NC(=S)Nc1ccccc1)/c1ccco1)\c1ccco1)Nc1ccccc1
InChIInChI=1S/C24H20N6O2S2/c33-23(25-17-9-3-1-4-10-17)29-27-21(19-13-7-15-31-19)22(20-14-8-16-32-20)28-30-24(34)26-18-11-5-2-6-12-18/h1-16H,(H2,25,29,33)(H2,26,30,34)/b27-21+,28-22+
InChIKeyUJDFYASSMHFAJO-GPAWKIAZSA-N
XLogP4.95
TPSA99.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-[3-(phenylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 54406918
N'-chloro-N-phenylfuran-2-carboximidamide
CID 163531531
(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide
CID 89330128
N'-phenylfuran-2-carbothiohydrazide
CID 15761686
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
CID 6231259
1-phenyl-3-[(E)-[(2E)-2-(phenylcarbamothioylhydrazinylidene)pentan-3-ylidene]amino]thiourea
CID 14325233
1-[(E)-ethylideneamino]-3-phenylthiourea
CID 12593777
1-[(E)-1-cyanopropan-2-ylideneamino]-3-phenylthiourea
CID 15836297
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17233679
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
1-[1-(4-tert-butylphenyl)ethylideneamino]-3-phenylthiourea
CID 4547560

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea?
The IUPAC name of 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea (CID 15682850) is 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea?
The canonical SMILES for 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea is S=C(N/N=C(C(=N/NC(=S)Nc1ccccc1)/c1ccco1)\c1ccco1)Nc1ccccc1.
What is the InChIKey of 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea?
The InChIKey is UJDFYASSMHFAJO-GPAWKIAZSA-N. The full InChI is InChI=1S/C24H20N6O2S2/c33-23(25-17-9-3-1-4-10-17)29-27-21(19-13-7-15-31-19)22(20-14-8-16-32-20)28-30-24(34)26-18-11-5-2-6-12-18/h1-16H,(H2,25,29,33)(H2,26,30,34)/b27-21+,28-22+.
What are the key properties of 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea?
1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea has a molecular weight of 488.60 g/mol, XLogP of 4.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea is sourced from PubChem (CID 15682850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).