N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine

C11H22N4S — CID 43663812

IUPACN',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1csnn1)C(C)C
InChIInChI=1S/C11H22N4S/c1-9(2)15(10(3)4)6-5-12-7-11-8-16-14-13-11/h8-10,12H,5-7H2,1-4H3
InChIKeyABOWPKHZNDCQMH-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.75
Rot. Bonds7

About N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 43663812) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID43663812
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC NameN',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1csnn1)C(C)C
InChIInChI=1S/C11H22N4S/c1-9(2)15(10(3)4)6-5-12-7-11-8-16-14-13-11/h8-10,12H,5-7H2,1-4H3
InChIKeyABOWPKHZNDCQMH-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine (CID 43663812) is N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine is CC(C)N(CCNCc1csnn1)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is ABOWPKHZNDCQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-9(2)15(10(3)4)6-5-12-7-11-8-16-14-13-11/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43663812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).