3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

C10H18N2OS — CID 62758491

IUPAC3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(C)OCCCNCc1cncs1
InChIInChI=1S/C10H18N2OS/c1-9(2)13-5-3-4-11-6-10-7-12-8-14-10/h7-9,11H,3-6H2,1-2H3
InChIKeyYQZKYDKFEBYZPJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.05
Rot. Bonds7

About 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (PubChem CID 62758491) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
PubChem CID62758491
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(C)OCCCNCc1cncs1
InChIInChI=1S/C10H18N2OS/c1-9(2)13-5-3-4-11-6-10-7-12-8-14-10/h7-9,11H,3-6H2,1-2H3
InChIKeyYQZKYDKFEBYZPJ-UHFFFAOYSA-N
XLogP2.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (CID 62758491) is 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is CC(C)OCCCNCc1cncs1.
What is the InChIKey of 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The InChIKey is YQZKYDKFEBYZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9(2)13-5-3-4-11-6-10-7-12-8-14-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 62758491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).