3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole

C10H16N4S — CID 65273418

IUPAC3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole
SMILESC1CNCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H16N4S/c1-4-11-5-7-14(6-1)10-12-9(13-15-10)8-2-3-8/h8,11H,1-7H2
InChIKeyZDFWPHGRTGUMDM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.22
Rot. Bonds2

About 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole

3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole (PubChem CID 65273418) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole
PubChem CID65273418
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole
SMILESC1CNCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H16N4S/c1-4-11-5-7-14(6-1)10-12-9(13-15-10)8-2-3-8/h8,11H,1-7H2
InChIKeyZDFWPHGRTGUMDM-UHFFFAOYSA-N
XLogP1.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Cyclopropyl-5-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 71861526
3-Cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 71924245
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
CID 54595871
4-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]butan-1-amine
CID 107304472
2-Methyl-3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]propan-1-amine
CID 107304474
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494115
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494312
N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 71870015
3-Cyclopropyl-5-(piperazin-1-ylmethyl)-1,2,4-thiadiazole
CID 169691850
1-[3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl]piperazine
CID 53404027
N'-ethyl-2-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65267493
N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65267550

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole (CID 65273418) is 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole is C1CNCCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole?
The InChIKey is ZDFWPHGRTGUMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-4-11-5-7-14(6-1)10-12-9(13-15-10)8-2-3-8/h8,11H,1-7H2.
What are the key properties of 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole has a molecular weight of 224.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1,4-diazepan-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65273418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).