3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine

C14H25N5S — CID 65270859

IUPAC3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C14H25N5S/c1-11(9-15)10-18-5-2-6-19(8-7-18)14-16-13(17-20-14)12-3-4-12/h11-12H,2-10,15H2,1H3
InChIKeyHKXIZDYVSYUIIP-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.52
Rot. Bonds5

About 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine

3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine (PubChem CID 65270859) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
PubChem CID65270859
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C14H25N5S/c1-11(9-15)10-18-5-2-6-19(8-7-18)14-16-13(17-20-14)12-3-4-12/h11-12H,2-10,15H2,1H3
InChIKeyHKXIZDYVSYUIIP-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine with MolForge

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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
3-ethyl-5-[(2S)-2-ethyl-4-methyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 164632064
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'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107494081
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine (CID 65270859) is 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine is CC(CN)CN1CCCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine?
The InChIKey is HKXIZDYVSYUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-11(9-15)10-18-5-2-6-19(8-7-18)14-16-13(17-20-14)12-3-4-12/h11-12H,2-10,15H2,1H3.
What are the key properties of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine?
3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine has a molecular weight of 295.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65270859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).