N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine

C13H22N2OS — CID 82434552

IUPACN-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(C2CC2)nc1C(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)12-11(8-14-6-7-16-3)17-13(15-12)10-4-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyCWEQWHIOCJGVNC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.88
Rot. Bonds7

About N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine

N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 82434552) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID82434552
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1sc(C2CC2)nc1C(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)12-11(8-14-6-7-16-3)17-13(15-12)10-4-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyCWEQWHIOCJGVNC-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (CID 82434552) is N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is COCCNCc1sc(C2CC2)nc1C(C)C.
What is the InChIKey of N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is CWEQWHIOCJGVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)12-11(8-14-6-7-16-3)17-13(15-12)10-4-5-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82434552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).