1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine

C16H22N2OS — CID 61487377

IUPAC1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCCc1nc(COc2ccc(C(N)CC)cc2)cs1
InChIInChI=1S/C16H22N2OS/c1-3-5-16-18-13(11-20-16)10-19-14-8-6-12(7-9-14)15(17)4-2/h6-9,11,15H,3-5,10,17H2,1-2H3
InChIKeyDGOMINBUMJMDRN-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.08
Rot. Bonds7

About 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine

1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine (PubChem CID 61487377) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
PubChem CID61487377
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCCc1nc(COc2ccc(C(N)CC)cc2)cs1
InChIInChI=1S/C16H22N2OS/c1-3-5-16-18-13(11-20-16)10-19-14-8-6-12(7-9-14)15(17)4-2/h6-9,11,15H,3-5,10,17H2,1-2H3
InChIKeyDGOMINBUMJMDRN-UHFFFAOYSA-N
XLogP4.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine (CID 61487377) is 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine is CCCc1nc(COc2ccc(C(N)CC)cc2)cs1.
What is the InChIKey of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is DGOMINBUMJMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-5-16-18-13(11-20-16)10-19-14-8-6-12(7-9-14)15(17)4-2/h6-9,11,15H,3-5,10,17H2,1-2H3.
What are the key properties of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine?
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 61487377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).