N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C9H18N4S — CID 65267493

IUPACN'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)c1nc(C)ns1
InChIInChI=1S/C9H18N4S/c1-4-13(6-7(2)5-10)9-11-8(3)12-14-9/h7H,4-6,10H2,1-3H3
InChIKeyQZVDRDXERYXFPA-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.27
Rot. Bonds5

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

N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65267493) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65267493
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC NameN'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)c1nc(C)ns1
InChIInChI=1S/C9H18N4S/c1-4-13(6-7(2)5-10)9-11-8(3)12-14-9/h7H,4-6,10H2,1-3H3
InChIKeyQZVDRDXERYXFPA-UHFFFAOYSA-N
XLogP1.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
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
N'-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304454
N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304461
N'-propan-2-yl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304462
2-Methyl-3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304473
2-Methyl-3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]propan-1-amine
CID 107304474
N'-ethyl-2-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304484
N',2-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304485
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropanethioamide
CID 107304524
3-[2-Methylpropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304528

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65267493) is N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CCN(CC(C)CN)c1nc(C)ns1.
What is the InChIKey of N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is QZVDRDXERYXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-13(6-7(2)5-10)9-11-8(3)12-14-9/h7H,4-6,10H2,1-3H3.
What are the key properties of N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65267493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).