(9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide

C15H12N4OS — CID 5345605

IUPAC(9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide
SMILESNC(=O)c1cccc2c1-c1ccccc1/C2=N/NC(N)=S
InChIInChI=1S/C15H12N4OS/c16-14(20)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)18-19-15(17)21/h1-7H,(H2,16,20)(H3,17,19,21)/b18-13-
InChIKeyTWOXGNJYJQXXGI-AQTBWJFISA-N
MW296.36 g/mol
LogP1.35
Rot. Bonds2

About (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide

(9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide (PubChem CID 5345605) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide.

Molecular Properties

Compound Name(9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide
PubChem CID5345605
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name(9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide
SMILESNC(=O)c1cccc2c1-c1ccccc1/C2=N/NC(N)=S
InChIInChI=1S/C15H12N4OS/c16-14(20)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)18-19-15(17)21/h1-7H,(H2,16,20)(H3,17,19,21)/b18-13-
InChIKeyTWOXGNJYJQXXGI-AQTBWJFISA-N
XLogP1.35
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide?
The IUPAC name of (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide (CID 5345605) is (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide.
What is the SMILES notation for (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide?
The canonical SMILES for (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide is NC(=O)c1cccc2c1-c1ccccc1/C2=N/NC(N)=S.
What is the InChIKey of (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide?
The InChIKey is TWOXGNJYJQXXGI-AQTBWJFISA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14(20)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)18-19-15(17)21/h1-7H,(H2,16,20)(H3,17,19,21)/b18-13-.
What are the key properties of (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide?
(9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-(carbamothioylhydrazinylidene)fluorene-4-carboxamide is sourced from PubChem (CID 5345605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).