5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen

C6H14N4S — CID 167491414

IUPAC5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
SMILESCCNc1nc(N(C)C)ns1.[H][H]
InChIInChI=1S/C6H12N4S.H2/c1-4-7-6-8-5(9-11-6)10(2)3;/h4H2,1-3H3,(H,7,8,9);1H
InChIKeyBNFUZAPMSMXJSO-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.28
Rot. Bonds3

About 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen

5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen (PubChem CID 167491414) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen.

Molecular Properties

Compound Name5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
PubChem CID167491414
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
SMILESCCNc1nc(N(C)C)ns1.[H][H]
InChIInChI=1S/C6H12N4S.H2/c1-4-7-6-8-5(9-11-6)10(2)3;/h4H2,1-3H3,(H,7,8,9);1H
InChIKeyBNFUZAPMSMXJSO-UHFFFAOYSA-N
XLogP1.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Piperazin-1-yl)-1,2,4-thiadiazol-3-amine
CID 71755701
3-N,5-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 44452499
5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 55281762
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
3-(2,2,2-Trifluoroethyl)amino-5-amino-1,2,4-thiadiazole
CID 21298777
5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278327
5-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 105939502
5-N-(2,2-difluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 115409380
5-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazole-3,5-diamine
CID 115522982
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 116319207
5-N-(3-fluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 126976305

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
The IUPAC name of 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen (CID 167491414) is 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen.
What is the SMILES notation for 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
The canonical SMILES for 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen is CCNc1nc(N(C)C)ns1.[H][H].
What is the InChIKey of 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
The InChIKey is BNFUZAPMSMXJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S.H2/c1-4-7-6-8-5(9-11-6)10(2)3;/h4H2,1-3H3,(H,7,8,9);1H.
What are the key properties of 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen?
5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen has a molecular weight of 174.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen is sourced from PubChem (CID 167491414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).