N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C14H25N3OS — CID 80620317

IUPACN-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCCC1CCCC(Oc2nnc(CNC(C)C)s2)C1
InChIInChI=1S/C14H25N3OS/c1-4-11-6-5-7-12(8-11)18-14-17-16-13(19-14)9-15-10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyZZWTWPDXVBUMEB-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.38
Rot. Bonds6

About N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 80620317) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID80620317
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCCC1CCCC(Oc2nnc(CNC(C)C)s2)C1
InChIInChI=1S/C14H25N3OS/c1-4-11-6-5-7-12(8-11)18-14-17-16-13(19-14)9-15-10(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyZZWTWPDXVBUMEB-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 80620317) is N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is CCC1CCCC(Oc2nnc(CNC(C)C)s2)C1.
What is the InChIKey of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ZZWTWPDXVBUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-11-6-5-7-12(8-11)18-14-17-16-13(19-14)9-15-10(2)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80620317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).