3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine

C15H18N2OS — CID 104587891

IUPAC3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C15H18N2OS/c1-18-13-7-12(8-13)16-9-15-17-14(10-19-15)11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3
InChIKeyNNHRMCJBCCCVJT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.08
Rot. Bonds5

About 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine

3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 104587891) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID104587891
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C15H18N2OS/c1-18-13-7-12(8-13)16-9-15-17-14(10-19-15)11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3
InChIKeyNNHRMCJBCCCVJT-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 62901090
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 62900326
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 79832136
2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 119121832
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
1-(cyclopropylmethyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111869549
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115615393
[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 103684804

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine (CID 104587891) is 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine is COC1CC(NCc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is NNHRMCJBCCCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-13-7-12(8-13)16-9-15-17-14(10-19-15)11-5-3-2-4-6-11/h2-6,10,12-13,16H,7-9H2,1H3.
What are the key properties of 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104587891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).