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

C14H26N2OS — CID 106285282

IUPACN-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2CCOCC2)S1
InChIInChI=1S/C14H26N2OS/c1-3-12(4-2)13-10-16-14(18-13)15-9-11-5-7-17-8-6-11/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyPFXKSMPKPMVMJA-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.91
Rot. Bonds5

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

N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285282) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285282
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2CCOCC2)S1
InChIInChI=1S/C14H26N2OS/c1-3-12(4-2)13-10-16-14(18-13)15-9-11-5-7-17-8-6-11/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyPFXKSMPKPMVMJA-UHFFFAOYSA-N
XLogP2.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285282) is N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCC2CCOCC2)S1.
What is the InChIKey of N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PFXKSMPKPMVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-12(4-2)13-10-16-14(18-13)15-9-11-5-7-17-8-6-11/h11-13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).