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

C15H18N2OS — CID 116730669

IUPAC[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(-c3ccccc3)c(CN)s2)CCC1
InChIInChI=1S/C15H18N2OS/c1-18-15(8-5-9-15)14-17-13(12(10-16)19-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,16H2,1H3
InChIKeyFZBHDZAJCIDTQX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.29
Rot. Bonds4

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

[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 116730669) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID116730669
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(-c3ccccc3)c(CN)s2)CCC1
InChIInChI=1S/C15H18N2OS/c1-18-15(8-5-9-15)14-17-13(12(10-16)19-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,16H2,1H3
InChIKeyFZBHDZAJCIDTQX-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730681
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
CID 114361948
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362057
[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62931710
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 104611833
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81174347
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 62765688
5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
CID 62765496
[2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361256

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 116730669) is [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is COC1(c2nc(-c3ccccc3)c(CN)s2)CCC1.
What is the InChIKey of [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is FZBHDZAJCIDTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-15(8-5-9-15)14-17-13(12(10-16)19-14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,16H2,1H3.
What are the key properties of [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116730669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).