2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium

C14H24N5S2+ — CID 8616850

IUPAC2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium
SMILESCc1cccc(C)c1NC(=S)NNC(=S)NCC[NH+](C)C
InChIInChI=1S/C14H23N5S2/c1-10-6-5-7-11(2)12(10)16-14(21)18-17-13(20)15-8-9-19(3)4/h5-7H,8-9H2,1-4H3,(H2,15,17,20)(H2,16,18,21)/p+1
InChIKeyIHMVJFDNDAERKZ-UHFFFAOYSA-O
MW326.52 g/mol
LogP0.11
Rot. Bonds4

About 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium

2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium (PubChem CID 8616850) has the molecular formula C14H24N5S2+ and a molecular weight of 326.52 g/mol. Its IUPAC name is 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium
PubChem CID8616850
Molecular FormulaC14H24N5S2+
Molecular Weight326.52 g/mol
Exact Mass326.15
IUPAC Name2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium
SMILESCc1cccc(C)c1NC(=S)NNC(=S)NCC[NH+](C)C
InChIInChI=1S/C14H23N5S2/c1-10-6-5-7-11(2)12(10)16-14(21)18-17-13(20)15-8-9-19(3)4/h5-7H,8-9H2,1-4H3,(H2,15,17,20)(H2,16,18,21)/p+1
InChIKeyIHMVJFDNDAERKZ-UHFFFAOYSA-O
XLogP0.11
TPSA52.56 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 50.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(3-bromophenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium
CID 9238524
2-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioylamino]ethyl-dimethylazanium
CID 8768000
dimethyl-[2-[(3-methylanilino)carbamothioylamino]ethyl]azanium
CID 8668755
1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea
CID 2731006
2-(anilinocarbamothioylamino)ethyl-dimethylazanium
CID 8657059
dimethyl-[2-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]ethyl]azanium
CID 8619130
dimethyl-[2-(phenylcarbamothioylamino)ethyl]azanium
CID 4745810
1-(2-ethyl-6-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8559751
1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylphenyl)thiourea
CID 23855604
2-[(5-hydroxynaphthalen-1-yl)carbamothioylamino]ethyl-dimethylazanium
CID 8617103
dimethyl-[2-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]ethyl]azanium
CID 8660470
1-(2,6-dimethylphenyl)-3-prop-2-enylthiourea
CID 5200101

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium?
The IUPAC name of 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium (CID 8616850) is 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium is Cc1cccc(C)c1NC(=S)NNC(=S)NCC[NH+](C)C.
What is the InChIKey of 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium?
The InChIKey is IHMVJFDNDAERKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N5S2/c1-10-6-5-7-11(2)12(10)16-14(21)18-17-13(20)15-8-9-19(3)4/h5-7H,8-9H2,1-4H3,(H2,15,17,20)(H2,16,18,21)/p+1.
What are the key properties of 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium?
2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium has a molecular weight of 326.52 g/mol, XLogP of 0.11, 4 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium is sourced from PubChem (CID 8616850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).