[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine

C14H18N2OS — CID 62548421

IUPAC[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCCc1ccc(OCc2csc(CN)n2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-3-11-4-6-13(7-5-11)17-9-12-10-18-14(8-15)16-12/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyJEJLRWINHSQCKX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.13
Rot. Bonds6

About [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine

[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62548421) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62548421
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCCc1ccc(OCc2csc(CN)n2)cc1
InChIInChI=1S/C14H18N2OS/c1-2-3-11-4-6-13(7-5-11)17-9-12-10-18-14(8-15)16-12/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyJEJLRWINHSQCKX-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.13
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]butan-2-amine
CID 61487429
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
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487377
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 55077570
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157

Frequently Asked Questions

What is the IUPAC name of [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine (CID 62548421) is [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine is CCCc1ccc(OCc2csc(CN)n2)cc1.
What is the InChIKey of [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is JEJLRWINHSQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-3-11-4-6-13(7-5-11)17-9-12-10-18-14(8-15)16-12/h4-7,10H,2-3,8-9,15H2,1H3.
What are the key properties of [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62548421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).