5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine

C16H29N3OS — CID 63864245

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CC2CC2C)sc1CNCCOC
InChIInChI=1S/C16H29N3OS/c1-5-6-14-15(10-17-7-8-20-4)21-16(18-14)19(3)11-13-9-12(13)2/h12-13,17H,5-11H2,1-4H3
InChIKeyLXBJFGMARUBAHB-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.92
Rot. Bonds10

About 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 63864245) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID63864245
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CC2CC2C)sc1CNCCOC
InChIInChI=1S/C16H29N3OS/c1-5-6-14-15(10-17-7-8-20-4)21-16(18-14)19(3)11-13-9-12(13)2/h12-13,17H,5-11H2,1-4H3
InChIKeyLXBJFGMARUBAHB-UHFFFAOYSA-N
XLogP2.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine (CID 63864245) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)CC2CC2C)sc1CNCCOC.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is LXBJFGMARUBAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-6-14-15(10-17-7-8-20-4)21-16(18-14)19(3)11-13-9-12(13)2/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63864245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).