trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium

C7H13N2O6P2S+ — CID 57158435

IUPACtrihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium
SMILESCCCc1cnc(N=C(P(=O)(O)O)[P+](O)(O)O)s1
InChIInChI=1S/C7H12N2O6P2S/c1-2-3-5-4-8-6(18-5)9-7(16(10,11)12)17(13,14)15/h4,10-12H,2-3H2,1H3,(H-,13,14,15)/p+1
InChIKeyWPKPRHWKRLQCJN-UHFFFAOYSA-O
MW315.20 g/mol
LogP1.00
Rot. Bonds5

About trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium

trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium (PubChem CID 57158435) has the molecular formula C7H13N2O6P2S+ and a molecular weight of 315.20 g/mol. Its IUPAC name is trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium
PubChem CID57158435
Molecular FormulaC7H13N2O6P2S+
Molecular Weight315.20 g/mol
Exact Mass315.00
IUPAC Nametrihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium
SMILESCCCc1cnc(N=C(P(=O)(O)O)[P+](O)(O)O)s1
InChIInChI=1S/C7H12N2O6P2S/c1-2-3-5-4-8-6(18-5)9-7(16(10,11)12)17(13,14)15/h4,10-12H,2-3H2,1H3,(H-,13,14,15)/p+1
InChIKeyWPKPRHWKRLQCJN-UHFFFAOYSA-O
XLogP1.00
TPSA143.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium 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 trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium?
The IUPAC name of trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium (CID 57158435) is trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium.
What is the SMILES notation for trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium?
The canonical SMILES for trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium is CCCc1cnc(N=C(P(=O)(O)O)[P+](O)(O)O)s1.
What is the InChIKey of trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium?
The InChIKey is WPKPRHWKRLQCJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2O6P2S/c1-2-3-5-4-8-6(18-5)9-7(16(10,11)12)17(13,14)15/h4,10-12H,2-3H2,1H3,(H-,13,14,15)/p+1.
What are the key properties of trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium?
trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium has a molecular weight of 315.20 g/mol, XLogP of 1.00, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[C-phosphono-N-(5-propyl-1,3-thiazol-2-yl)carbonimidoyl]phosphanium is sourced from PubChem (CID 57158435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).