N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine

C14H26N4OS — CID 65276170

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C14H26N4OS/c1-2-4-13-17-14(20-18-13)16-9-3-10-19-12-7-5-11(15)6-8-12/h11-12H,2-10,15H2,1H3,(H,16,17,18)
InChIKeyBLOVBRLCYKTFGH-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.58
Rot. Bonds8

About N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65276170) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65276170
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C14H26N4OS/c1-2-4-13-17-14(20-18-13)16-9-3-10-19-12-7-5-11(15)6-8-12/h11-12H,2-10,15H2,1H3,(H,16,17,18)
InChIKeyBLOVBRLCYKTFGH-UHFFFAOYSA-N
XLogP2.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65276170) is N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCCOC2CCC(N)CC2)n1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is BLOVBRLCYKTFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-2-4-13-17-14(20-18-13)16-9-3-10-19-12-7-5-11(15)6-8-12/h11-12H,2-10,15H2,1H3,(H,16,17,18).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 298.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).