2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine

C12H20N2OS — CID 103653186

IUPAC2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCc1nc(CNCCOCC2CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-12-14-11(9-16-12)7-13-5-6-15-8-10-3-4-10/h9-10,13H,2-8H2,1H3
InChIKeyJSYXRLRTVZVCOU-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine

2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 103653186) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID103653186
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCc1nc(CNCCOCC2CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-12-14-11(9-16-12)7-13-5-6-15-8-10-3-4-10/h9-10,13H,2-8H2,1H3
InChIKeyJSYXRLRTVZVCOU-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.22
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

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226330
2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114097894
2-(cyclopropylmethoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 103699309
3-[2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol;hydrochloride
CID 115616096
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol
CID 115654661
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 103653186) is 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine is CCc1nc(CNCCOCC2CC2)cs1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is JSYXRLRTVZVCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-12-14-11(9-16-12)7-13-5-6-15-8-10-3-4-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine?
2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103653186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).