N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H22N2OS — CID 106285463

IUPACN-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCOC2)S1
InChIInChI=1S/C12H22N2OS/c1-3-9(4-2)11-7-13-12(16-11)14-10-5-6-15-8-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyWPCANXRRHFMMBV-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds4

About N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285463) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285463
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCOC2)S1
InChIInChI=1S/C12H22N2OS/c1-3-9(4-2)11-7-13-12(16-11)14-10-5-6-15-8-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyWPCANXRRHFMMBV-UHFFFAOYSA-N
XLogP2.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285463) is N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC2CCOC2)S1.
What is the InChIKey of N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WPCANXRRHFMMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-9(4-2)11-7-13-12(16-11)14-10-5-6-15-8-10/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).