5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

C15H20N2OS — CID 79819900

IUPAC5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCOCCCC(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2OS/c1-18-9-5-8-13(16)10-15-17-14(11-19-15)12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,16H2,1H3
InChIKeyMTOIOPFTUCYKBH-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.11
Rot. Bonds7

About 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 79819900) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID79819900
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCOCCCC(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2OS/c1-18-9-5-8-13(16)10-15-17-14(11-19-15)12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,16H2,1H3
InChIKeyMTOIOPFTUCYKBH-UHFFFAOYSA-N
XLogP3.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.11
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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Related Compounds

4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 79825345
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
5-methoxy-1-phenylpentan-2-amine
CID 62608693
5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105110995
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
N-(2-methoxyethyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817215
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (CID 79819900) is 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is COCCCC(N)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is MTOIOPFTUCYKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-18-9-5-8-13(16)10-15-17-14(11-19-15)12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,16H2,1H3.
What are the key properties of 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79819900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).