3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

C12H22N2OS — CID 115693948

IUPAC3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1cnc(C(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-4-15-7-5-6-13-8-11-9-14-12(16-11)10(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyOCKPTSJSFMNDSG-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.78
Rot. Bonds8

About 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 115693948) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID115693948
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1cnc(C(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-4-15-7-5-6-13-8-11-9-14-12(16-11)10(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyOCKPTSJSFMNDSG-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.78
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-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 115587033
3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115694089
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-ethoxybutan-1-amine
CID 115769832
N-[(4,5-dibromothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830644
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830641
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 115694095
2,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanenitrile
CID 104587228
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
CID 107267939
(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 103757495

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 115693948) is 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCOCCCNCc1cnc(C(C)C)s1.
What is the InChIKey of 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is OCKPTSJSFMNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-15-7-5-6-13-8-11-9-14-12(16-11)10(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 115693948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).