1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine

C15H28N2OS — CID 106676106

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCCc1nc(C(CC(C)(C)OC)NC(C)C)sc1C
InChIInChI=1S/C15H28N2OS/c1-8-12-11(4)19-14(17-12)13(16-10(2)3)9-15(5,6)18-7/h10,13,16H,8-9H2,1-7H3
InChIKeyGZPZWFRMQFLTHX-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.87
Rot. Bonds7

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 106676106) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID106676106
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCCc1nc(C(CC(C)(C)OC)NC(C)C)sc1C
InChIInChI=1S/C15H28N2OS/c1-8-12-11(4)19-14(17-12)13(16-10(2)3)9-15(5,6)18-7/h10,13,16H,8-9H2,1-7H3
InChIKeyGZPZWFRMQFLTHX-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine (CID 106676106) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine is CCc1nc(C(CC(C)(C)OC)NC(C)C)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is GZPZWFRMQFLTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-8-12-11(4)19-14(17-12)13(16-10(2)3)9-15(5,6)18-7/h10,13,16H,8-9H2,1-7H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 106676106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).