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

C12H24N2OS — CID 106284919

IUPACN-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCCOC)S1
InChIInChI=1S/C12H24N2OS/c1-4-10(5-2)11-9-14-12(16-11)13-7-6-8-15-3/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyRTSZWMNFBDXKKY-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.52
Rot. Bonds7

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

N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284919) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284919
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCCOC)S1
InChIInChI=1S/C12H24N2OS/c1-4-10(5-2)11-9-14-12(16-11)13-7-6-8-15-3/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyRTSZWMNFBDXKKY-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.52
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 N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106284919) is N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCCCOC)S1.
What is the InChIKey of N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RTSZWMNFBDXKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-10(5-2)11-9-14-12(16-11)13-7-6-8-15-3/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).