N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide

C15H19N7OS2 — CID 20515955

IUPACN-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
SMILES[H]/N=C(\CCSCc1csc(N=C(N)N)n1)N(N)C(=O)c1ccccc1
InChIInChI=1S/C15H19N7OS2/c16-12(22(19)13(23)10-4-2-1-3-5-10)6-7-24-8-11-9-25-15(20-11)21-14(17)18/h1-5,9,16H,6-8,19H2,(H4,17,18,20,21)/b16-12+
InChIKeyNKFQEAIMTHSPKZ-FOWTUZBSSA-N
MW377.50 g/mol
LogP1.66
Rot. Bonds7

About N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide

N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide (PubChem CID 20515955) has the molecular formula C15H19N7OS2 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide.

Molecular Properties

Compound NameN-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
PubChem CID20515955
Molecular FormulaC15H19N7OS2
Molecular Weight377.50 g/mol
Exact Mass377.11
IUPAC NameN-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
SMILES[H]/N=C(\CCSCc1csc(N=C(N)N)n1)N(N)C(=O)c1ccccc1
InChIInChI=1S/C15H19N7OS2/c16-12(22(19)13(23)10-4-2-1-3-5-10)6-7-24-8-11-9-25-15(20-11)21-14(17)18/h1-5,9,16H,6-8,19H2,(H4,17,18,20,21)/b16-12+
InChIKeyNKFQEAIMTHSPKZ-FOWTUZBSSA-N
XLogP1.66
TPSA147.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
The IUPAC name of N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide (CID 20515955) is N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide.
What is the SMILES notation for N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
The canonical SMILES for N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide is [H]/N=C(\CCSCc1csc(N=C(N)N)n1)N(N)C(=O)c1ccccc1.
What is the InChIKey of N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
The InChIKey is NKFQEAIMTHSPKZ-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H19N7OS2/c16-12(22(19)13(23)10-4-2-1-3-5-10)6-7-24-8-11-9-25-15(20-11)21-14(17)18/h1-5,9,16H,6-8,19H2,(H4,17,18,20,21)/b16-12+.
What are the key properties of N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide has a molecular weight of 377.50 g/mol, XLogP of 1.66, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-benzoyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide is sourced from PubChem (CID 20515955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).