5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2OS — CID 63296616

IUPAC5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCC(C)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2OS/c1-8(7-14-2)5-12-11-13-6-10(15-11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBGGANLHWKUNMNK-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.74
Rot. Bonds5

About 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296616) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296616
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCC(C)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2OS/c1-8(7-14-2)5-12-11-13-6-10(15-11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBGGANLHWKUNMNK-UHFFFAOYSA-N
XLogP1.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296616) is 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is COCC(C)CNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BGGANLHWKUNMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(7-14-2)5-12-11-13-6-10(15-11)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-methoxy-2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).