2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

C17H32N2OS — CID 83150871

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCOCCNCC(C)(Cc1nc(C(C)(C)C)cs1)C(C)C
InChIInChI=1S/C17H32N2OS/c1-13(2)17(6,12-18-8-9-20-7)10-15-19-14(11-21-15)16(3,4)5/h11,13,18H,8-10,12H2,1-7H3
InChIKeyBXDSZUVCKAXXAX-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.88
Rot. Bonds8

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (PubChem CID 83150871) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
PubChem CID83150871
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
SMILESCOCCNCC(C)(Cc1nc(C(C)(C)C)cs1)C(C)C
InChIInChI=1S/C17H32N2OS/c1-13(2)17(6,12-18-8-9-20-7)10-15-19-14(11-21-15)16(3,4)5/h11,13,18H,8-10,12H2,1-7H3
InChIKeyBXDSZUVCKAXXAX-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine with MolForge

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Related Compounds

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 83151543
N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 83151789
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151196
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine
CID 79820562
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
2-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150572
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-3-amine
CID 62544110
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
CID 114163592
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine (CID 83150871) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is COCCNCC(C)(Cc1nc(C(C)(C)C)cs1)C(C)C.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
The InChIKey is BXDSZUVCKAXXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-13(2)17(6,12-18-8-9-20-7)10-15-19-14(11-21-15)16(3,4)5/h11,13,18H,8-10,12H2,1-7H3.
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine?
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine has a molecular weight of 312.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83150871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).