N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide

C28H37N5OS — CID 67668724

IUPACN-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide
SMILESCCN(CC)C1CCC(N(N)C=Nc2nc(-c3ccccc3Oc3ccc(C)cc3C)cs2)CC1
InChIInChI=1S/C28H37N5OS/c1-5-32(6-2)22-12-14-23(15-13-22)33(29)19-30-28-31-25(18-35-28)24-9-7-8-10-27(24)34-26-16-11-20(3)17-21(26)4/h7-11,16-19,22-23H,5-6,12-15,29H2,1-4H3
InChIKeyZFJNBYOORMNKSO-UHFFFAOYSA-N
MW491.71 g/mol
LogP6.71
Rot. Bonds9

About N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide

N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide (PubChem CID 67668724) has the molecular formula C28H37N5OS and a molecular weight of 491.71 g/mol. Its IUPAC name is N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide.

Molecular Properties

Compound NameN-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide
PubChem CID67668724
Molecular FormulaC28H37N5OS
Molecular Weight491.71 g/mol
Exact Mass491.27
IUPAC NameN-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide
SMILESCCN(CC)C1CCC(N(N)C=Nc2nc(-c3ccccc3Oc3ccc(C)cc3C)cs2)CC1
InChIInChI=1S/C28H37N5OS/c1-5-32(6-2)22-12-14-23(15-13-22)33(29)19-30-28-31-25(18-35-28)24-9-7-8-10-27(24)34-26-16-11-20(3)17-21(26)4/h7-11,16-19,22-23H,5-6,12-15,29H2,1-4H3
InChIKeyZFJNBYOORMNKSO-UHFFFAOYSA-N
XLogP6.71
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.71
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide 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-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide?
The IUPAC name of N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide (CID 67668724) is N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide.
What is the SMILES notation for N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide?
The canonical SMILES for N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide is CCN(CC)C1CCC(N(N)C=Nc2nc(-c3ccccc3Oc3ccc(C)cc3C)cs2)CC1.
What is the InChIKey of N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide?
The InChIKey is ZFJNBYOORMNKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5OS/c1-5-32(6-2)22-12-14-23(15-13-22)33(29)19-30-28-31-25(18-35-28)24-9-7-8-10-27(24)34-26-16-11-20(3)17-21(26)4/h7-11,16-19,22-23H,5-6,12-15,29H2,1-4H3.
What are the key properties of N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide?
N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide has a molecular weight of 491.71 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[4-(diethylamino)cyclohexyl]-N'-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]methanimidamide is sourced from PubChem (CID 67668724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).