(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide

C10H11IN4S2 — CID 50742046

IUPAC(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide
SMILESC/C(=N/NC(N)=S)C(=S)Nc1ccc(I)cc1
InChIInChI=1S/C10H11IN4S2/c1-6(14-15-10(12)17)9(16)13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H,13,16)(H3,12,15,17)/b14-6-
InChIKeyHNGXFQWLQDXMFV-NSIKDUERSA-N
MW378.26 g/mol
LogP2.24
Rot. Bonds3

About (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide

(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide (PubChem CID 50742046) has the molecular formula C10H11IN4S2 and a molecular weight of 378.26 g/mol. Its IUPAC name is (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide.

Molecular Properties

Compound Name(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide
PubChem CID50742046
Molecular FormulaC10H11IN4S2
Molecular Weight378.26 g/mol
Exact Mass377.95
IUPAC Name(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide
SMILESC/C(=N/NC(N)=S)C(=S)Nc1ccc(I)cc1
InChIInChI=1S/C10H11IN4S2/c1-6(14-15-10(12)17)9(16)13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H,13,16)(H3,12,15,17)/b14-6-
InChIKeyHNGXFQWLQDXMFV-NSIKDUERSA-N
XLogP2.24
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

(2E)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanamide
CID 95240425
[(E)-[1-(4-methylanilino)-1-sulfanylidenepropan-2-ylidene]amino]urea
CID 95240430
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
N-(4-iodophenyl)acetamide
CID 12147
1-amino-3-(4-iodophenyl)thiourea
CID 2759372
N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-2-phenylethanethioamide
CID 75541883
[(E)-3-oxobutan-2-ylideneamino]thiourea
CID 12861991
[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea
CID 135804052
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
ethyl 3-(carbamothioylhydrazinylidene)-2-[(3,4-dimethylphenyl)hydrazinylidene]butanoate
CID 6812829
1-(4-iodophenyl)-2-propylguanidine
CID 62380143

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide?
The IUPAC name of (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide (CID 50742046) is (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide.
What is the SMILES notation for (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide?
The canonical SMILES for (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide is C/C(=N/NC(N)=S)C(=S)Nc1ccc(I)cc1.
What is the InChIKey of (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide?
The InChIKey is HNGXFQWLQDXMFV-NSIKDUERSA-N. The full InChI is InChI=1S/C10H11IN4S2/c1-6(14-15-10(12)17)9(16)13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H,13,16)(H3,12,15,17)/b14-6-.
What are the key properties of (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide?
(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide has a molecular weight of 378.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide is sourced from PubChem (CID 50742046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).