1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C15H26N2OS — CID 114366979

IUPAC1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(c1nc(C2CC2)c(CNC)s1)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-6-18-13(15(2,3)4)14-17-12(10-7-8-10)11(19-14)9-16-5/h10,13,16H,6-9H2,1-5H3
InChIKeyBQJBVTVUVKTRFG-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.86
Rot. Bonds6

About 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366979) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366979
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOC(c1nc(C2CC2)c(CNC)s1)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-6-18-13(15(2,3)4)14-17-12(10-7-8-10)11(19-14)9-16-5/h10,13,16H,6-9H2,1-5H3
InChIKeyBQJBVTVUVKTRFG-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366979) is 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCOC(c1nc(C2CC2)c(CNC)s1)C(C)(C)C.
What is the InChIKey of 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BQJBVTVUVKTRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-18-13(15(2,3)4)14-17-12(10-7-8-10)11(19-14)9-16-5/h10,13,16H,6-9H2,1-5H3.
What are the key properties of 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 282.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).