N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine

C12H25N5S2 — CID 55242020

IUPACN-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C12H25N5S2/c1-5-17(6-2)9-7-13-8-10-18-12-15-14-11(19-12)16(3)4/h13H,5-10H2,1-4H3
InChIKeyNVXOJKGONSMRRE-UHFFFAOYSA-N
MW303.50 g/mol
LogP1.63
Rot. Bonds10

About N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 55242020) has the molecular formula C12H25N5S2 and a molecular weight of 303.50 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID55242020
Molecular FormulaC12H25N5S2
Molecular Weight303.50 g/mol
Exact Mass303.16
IUPAC NameN-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C12H25N5S2/c1-5-17(6-2)9-7-13-8-10-18-12-15-14-11(19-12)16(3)4/h13H,5-10H2,1-4H3
InChIKeyNVXOJKGONSMRRE-UHFFFAOYSA-N
XLogP1.63
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine 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-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine (CID 55242020) is N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCSc1nnc(N(C)C)s1.
What is the InChIKey of N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is NVXOJKGONSMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5S2/c1-5-17(6-2)9-7-13-8-10-18-12-15-14-11(19-12)16(3)4/h13H,5-10H2,1-4H3.
What are the key properties of N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 303.50 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 55242020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).