N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2OS — CID 63828632

IUPACN-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCOC2CCCC2)S1
InChIInChI=1S/C11H20N2OS/c1-9-8-13-11(15-9)12-6-7-14-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJKXDXVISIWCHML-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.03
Rot. Bonds4

About N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63828632) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63828632
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCOC2CCCC2)S1
InChIInChI=1S/C11H20N2OS/c1-9-8-13-11(15-9)12-6-7-14-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJKXDXVISIWCHML-UHFFFAOYSA-N
XLogP2.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.03
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-(2-cyclopentyloxyethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135998331
N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43148985
5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43440025
N-(2-ethoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591371
5-methyl-N-(oxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61611953
N-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61849649
N-(1-ethoxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61849866
N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61881794
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61881992
N-(2-butoxyethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61882195
N-(2-butoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61882196
N-(2-butoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61882403

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63828632) is N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCCOC2CCCC2)S1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JKXDXVISIWCHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9-8-13-11(15-9)12-6-7-14-10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63828632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).