N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C12H20N2OS — CID 116727622

IUPACN-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2(OC)CCC2)s1
InChIInChI=1S/C12H20N2OS/c1-3-7-13-8-10-9-14-11(16-10)12(15-2)5-4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyRONHZLGGMPUCNP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.67
Rot. Bonds6

About N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 116727622) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID116727622
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2(OC)CCC2)s1
InChIInChI=1S/C12H20N2OS/c1-3-7-13-8-10-9-14-11(16-10)12(15-2)5-4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyRONHZLGGMPUCNP-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116774361
5-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116782463
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116774317
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107925530
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774380
2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole
CID 116782796
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116777983
N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone
CID 116727520
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752896

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 116727622) is N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2(OC)CCC2)s1.
What is the InChIKey of N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is RONHZLGGMPUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-7-13-8-10-9-14-11(16-10)12(15-2)5-4-6-12/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 116727622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).