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

C11H20N2OS — CID 63296524

IUPAC5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2OS/c1-14-7-3-2-6-12-11-13-8-10(15-11)9-4-5-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyYHCNXUIRIUIBNF-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds6

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

5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296524) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296524
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H20N2OS/c1-14-7-3-2-6-12-11-13-8-10(15-11)9-4-5-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyYHCNXUIRIUIBNF-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.88
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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Related Compounds

N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 57162043
N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61814583
N-(4-methoxybutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61814584
N-(4-methoxybutyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61814792
N-(oxolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62824362
5-methyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62824538
5-cyclopropyl-N-pentyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296195
5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296247
5-cyclopropyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296248
5-cyclopropyl-N-(3-methylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296422
5-cyclopropyl-N-(3-methoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296427
5-cyclopropyl-N-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296485

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63296524) is 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCCCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YHCNXUIRIUIBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-14-7-3-2-6-12-11-13-8-10(15-11)9-4-5-9/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).