2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine

C16H21FN2OS — CID 82431968

IUPAC2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(COc2ccc(F)cc2)sc1C(C)(C)N
InChIInChI=1S/C16H21FN2OS/c1-4-5-13-15(16(2,3)18)21-14(19-13)10-20-12-8-6-11(17)7-9-12/h6-9H,4-5,10,18H2,1-3H3
InChIKeyQSYNHHCGAKYKMS-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.01
Rot. Bonds6

About 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82431968) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82431968
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(COc2ccc(F)cc2)sc1C(C)(C)N
InChIInChI=1S/C16H21FN2OS/c1-4-5-13-15(16(2,3)18)21-14(19-13)10-20-12-8-6-11(17)7-9-12/h6-9H,4-5,10,18H2,1-3H3
InChIKeyQSYNHHCGAKYKMS-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82440536
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429042
1-[4-tert-butyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82438755
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
N-[[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82429046
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
1-[4-tert-butyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82438754
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82428956

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine (CID 82431968) is 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine is CCCc1nc(COc2ccc(F)cc2)sc1C(C)(C)N.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is QSYNHHCGAKYKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-4-5-13-15(16(2,3)18)21-14(19-13)10-20-12-8-6-11(17)7-9-12/h6-9H,4-5,10,18H2,1-3H3.
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 308.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82431968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).