3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C13H22N2OS — CID 60696926

IUPAC3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESc1nc(CNCCCOC2CCCCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-2-5-13(6-3-1)16-8-4-7-14-9-12-10-17-11-15-12/h10-11,13-14H,1-9H2
InChIKeyOBLNYSXRLSKMRP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.97
Rot. Bonds7

About 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 60696926) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID60696926
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESc1nc(CNCCCOC2CCCCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-2-5-13(6-3-1)16-8-4-7-14-9-12-10-17-11-15-12/h10-11,13-14H,1-9H2
InChIKeyOBLNYSXRLSKMRP-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.97
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-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 60696926) is 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is c1nc(CNCCCOC2CCCCC2)cs1.
What is the InChIKey of 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is OBLNYSXRLSKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-5-13(6-3-1)16-8-4-7-14-9-12-10-17-11-15-12/h10-11,13-14H,1-9H2.
What are the key properties of 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 60696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).