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

C13H24N2OS — CID 114168307

IUPACN-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2CCCO2)S1
InChIInChI=1S/C13H24N2OS/c1-3-10(4-2)12-9-15-13(17-12)14-8-11-6-5-7-16-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyWGFZDIXJTHPFMD-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds5

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

N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114168307) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114168307
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2CCCO2)S1
InChIInChI=1S/C13H24N2OS/c1-3-10(4-2)12-9-15-13(17-12)14-8-11-6-5-7-16-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyWGFZDIXJTHPFMD-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropylpropan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285865
N'-ethyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285198
N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285264
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114168314
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123866
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285273
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809
N-(oxolan-2-ylmethyl)thiatriazol-5-amine
CID 86210692
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
N-(oxan-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601377

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114168307) is N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCC2CCCO2)S1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WGFZDIXJTHPFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-10(4-2)12-9-15-13(17-12)14-8-11-6-5-7-16-11/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114168307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).