N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine

C10H20N4S — CID 115906003

IUPACN'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1csnn1
InChIInChI=1S/C10H20N4S/c1-4-9(2)14(3)6-5-11-7-10-8-15-13-12-10/h8-9,11H,4-7H2,1-3H3
InChIKeyOEKFYLUNUNMDMF-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.36
Rot. Bonds7

About N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine

N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 115906003) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID115906003
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNCc1csnn1
InChIInChI=1S/C10H20N4S/c1-4-9(2)14(3)6-5-11-7-10-8-15-13-12-10/h8-9,11H,4-7H2,1-3H3
InChIKeyOEKFYLUNUNMDMF-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.36
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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Related Compounds

3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
3-(thiadiazol-4-ylmethylamino)propanenitrile
CID 43664080
N-ethyl-N-[3-(thiadiazol-4-ylmethylamino)propyl]methanesulfonamide
CID 54903680
3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 103924393
N'-butan-2-yl-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 104878961
2-butoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 61169519
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
CID 113357824
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine (CID 115906003) is N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine is CCC(C)N(C)CCNCc1csnn1.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is OEKFYLUNUNMDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-4-9(2)14(3)6-5-11-7-10-8-15-13-12-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115906003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).