N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C7H14N4S — CID 65267852

IUPACN',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(NCCN(C)C)n1
InChIInChI=1S/C7H14N4S/c1-6-9-7(12-10-6)8-4-5-11(2)3/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyCKMJLODZUFILML-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.82
Rot. Bonds4

About N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65267852) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65267852
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(NCCN(C)C)n1
InChIInChI=1S/C7H14N4S/c1-6-9-7(12-10-6)8-4-5-11(2)3/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyCKMJLODZUFILML-UHFFFAOYSA-N
XLogP0.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-((dimethylamino)methyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 332609
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
CID 54595871
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 79099578
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959831
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304576
N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304581
N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304585

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65267852) is N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is Cc1nsc(NCCN(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is CKMJLODZUFILML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6-9-7(12-10-6)8-4-5-11(2)3/h4-5H2,1-3H3,(H,8,9,10).
What are the key properties of N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65267852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).