2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide

C10H19N7S — CID 152984781

IUPAC2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1CN=C(NCC2CS/C(=N\C)N2)N1
InChIInChI=1S/C10H19N7S/c1-13-10-17-7(5-18-10)4-15-9-14-3-6(16-9)2-8(11)12/h6-7H,2-5H2,1H3,(H3,11,12)(H,13,17)(H2,14,15,16)
InChIKeyUVCBTUPQTKNKGO-UHFFFAOYSA-N
MW269.38 g/mol
LogP-1.08
Rot. Bonds4

About 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide

2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide (PubChem CID 152984781) has the molecular formula C10H19N7S and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide.

Molecular Properties

Compound Name2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide
PubChem CID152984781
Molecular FormulaC10H19N7S
Molecular Weight269.38 g/mol
Exact Mass269.14
IUPAC Name2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide
SMILES[H]/N=C(\N)CC1CN=C(NCC2CS/C(=N\C)N2)N1
InChIInChI=1S/C10H19N7S/c1-13-10-17-7(5-18-10)4-15-9-14-3-6(16-9)2-8(11)12/h6-7H,2-5H2,1H3,(H3,11,12)(H,13,17)(H2,14,15,16)
InChIKeyUVCBTUPQTKNKGO-UHFFFAOYSA-N
XLogP-1.08
TPSA110.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 5-1.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide?
The IUPAC name of 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide (CID 152984781) is 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide.
What is the SMILES notation for 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide?
The canonical SMILES for 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide is [H]/N=C(\N)CC1CN=C(NCC2CS/C(=N\C)N2)N1.
What is the InChIKey of 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide?
The InChIKey is UVCBTUPQTKNKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7S/c1-13-10-17-7(5-18-10)4-15-9-14-3-6(16-9)2-8(11)12/h6-7H,2-5H2,1H3,(H3,11,12)(H,13,17)(H2,14,15,16).
What are the key properties of 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide?
2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide has a molecular weight of 269.38 g/mol, XLogP of -1.08, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide is sourced from PubChem (CID 152984781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).