N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide

C19H28N6OS — CID 89006865

IUPACN'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide
SMILESCON/C(=N\c1ccc(C(C)(C)C)cc1)N1CCN(c2nsnc2C)CC1
InChIInChI=1S/C19H28N6OS/c1-14-17(23-27-22-14)24-10-12-25(13-11-24)18(21-26-5)20-16-8-6-15(7-9-16)19(2,3)4/h6-9H,10-13H2,1-5H3,(H,20,21)
InChIKeyGZYHNLFBTSVIAN-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.10
Rot. Bonds3

About N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide

N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide (PubChem CID 89006865) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide
PubChem CID89006865
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC NameN'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide
SMILESCON/C(=N\c1ccc(C(C)(C)C)cc1)N1CCN(c2nsnc2C)CC1
InChIInChI=1S/C19H28N6OS/c1-14-17(23-27-22-14)24-10-12-25(13-11-24)18(21-26-5)20-16-8-6-15(7-9-16)19(2,3)4/h6-9H,10-13H2,1-5H3,(H,20,21)
InChIKeyGZYHNLFBTSVIAN-UHFFFAOYSA-N
XLogP3.10
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide (CID 89006865) is N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide is CON/C(=N\c1ccc(C(C)(C)C)cc1)N1CCN(c2nsnc2C)CC1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide?
The InChIKey is GZYHNLFBTSVIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-14-17(23-27-22-14)24-10-12-25(13-11-24)18(21-26-5)20-16-8-6-15(7-9-16)19(2,3)4/h6-9H,10-13H2,1-5H3,(H,20,21).
What are the key properties of N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide?
N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide has a molecular weight of 388.54 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-methoxy-4-(4-methyl-1,2,5-thiadiazol-3-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 89006865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).