5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine

C15H29N3O2S — CID 62754803

IUPAC5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
SMILESCOCCCN(CCOC)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C15H29N3O2S/c1-15(2,3)17-12-13-11-16-14(21-13)18(8-10-20-5)7-6-9-19-4/h11,17H,6-10,12H2,1-5H3
InChIKeyMUUKNHLFVGRFGU-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.52
Rot. Bonds10

About 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine (PubChem CID 62754803) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
PubChem CID62754803
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
SMILESCOCCCN(CCOC)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C15H29N3O2S/c1-15(2,3)17-12-13-11-16-14(21-13)18(8-10-20-5)7-6-9-19-4/h11,17H,6-10,12H2,1-5H3
InChIKeyMUUKNHLFVGRFGU-UHFFFAOYSA-N
XLogP2.52
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine (CID 62754803) is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine is COCCCN(CCOC)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
The InChIKey is MUUKNHLFVGRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-15(2,3)17-12-13-11-16-14(21-13)18(8-10-20-5)7-6-9-19-4/h11,17H,6-10,12H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine has a molecular weight of 315.48 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).