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

C17H24N2OS — CID 61487429

IUPAC1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCCc1nc(COc2ccc(CC(N)CC)cc2)cs1
InChIInChI=1S/C17H24N2OS/c1-3-5-17-19-15(12-21-17)11-20-16-8-6-13(7-9-16)10-14(18)4-2/h6-9,12,14H,3-5,10-11,18H2,1-2H3
InChIKeyLMDPCOWGNLLUBP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.95
Rot. Bonds8

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

1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine (PubChem CID 61487429) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
PubChem CID61487429
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCCc1nc(COc2ccc(CC(N)CC)cc2)cs1
InChIInChI=1S/C17H24N2OS/c1-3-5-17-19-15(12-21-17)11-20-16-8-6-13(7-9-16)10-14(18)4-2/h6-9,12,14H,3-5,10-11,18H2,1-2H3
InChIKeyLMDPCOWGNLLUBP-UHFFFAOYSA-N
XLogP3.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487377
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol
CID 61487425
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
(1S)-1-[3-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 78933888

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine (CID 61487429) is 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine is CCCc1nc(COc2ccc(CC(N)CC)cc2)cs1.
What is the InChIKey of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is LMDPCOWGNLLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-5-17-19-15(12-21-17)11-20-16-8-6-13(7-9-16)10-14(18)4-2/h6-9,12,14H,3-5,10-11,18H2,1-2H3.
What are the key properties of 1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.95, 8 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]butan-2-amine is sourced from PubChem (CID 61487429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).