[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine

C16H21N3OS — CID 126719606

IUPAC[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(OCCCN3CCC3)cc2)s1
InChIInChI=1S/C16H21N3OS/c17-11-15-12-18-16(21-15)13-3-5-14(6-4-13)20-10-2-9-19-7-1-8-19/h3-6,12H,1-2,7-11,17H2
InChIKeySSOYARHHWFTHRP-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.74
Rot. Bonds7

About [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine

[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 126719606) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine
PubChem CID126719606
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(OCCCN3CCC3)cc2)s1
InChIInChI=1S/C16H21N3OS/c17-11-15-12-18-16(21-15)13-3-5-14(6-4-13)20-10-2-9-19-7-1-8-19/h3-6,12H,1-2,7-11,17H2
InChIKeySSOYARHHWFTHRP-UHFFFAOYSA-N
XLogP2.74
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
CID 126697388
methyl (2S)-1-[3-[4-[5-(aminomethyl)-1,3-thiazol-2-yl]phenoxy]propyl]pyrrolidine-2-carboxylate
CID 142744476
3-[4-[5-(aminomethyl)-1,3-thiazol-2-yl]phenoxy]-N-methyl-N-propan-2-ylpropan-1-amine;hydrochloride
CID 135323664
5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 22326855
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 168584079
3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
CID 157454552
[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
CID 142744465
4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole
CID 11702447
[2-(2-piperidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 115092051
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666

Frequently Asked Questions

What is the IUPAC name of [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine (CID 126719606) is [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ccc(OCCCN3CCC3)cc2)s1.
What is the InChIKey of [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is SSOYARHHWFTHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-11-15-12-18-16(21-15)13-3-5-14(6-4-13)20-10-2-9-19-7-1-8-19/h3-6,12H,1-2,7-11,17H2.
What are the key properties of [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine?
[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 126719606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).