N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine

C15H26N2OS — CID 116714793

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)C1(OC)CCC1
InChIInChI=1S/C15H26N2OS/c1-5-9-16-13(15(18-4)7-6-8-15)10-14-17-11(2)12(3)19-14/h13,16H,5-10H2,1-4H3
InChIKeyUPNRJEXDMBZEIA-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 116714793) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID116714793
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)C1(OC)CCC1
InChIInChI=1S/C15H26N2OS/c1-5-9-16-13(15(18-4)7-6-8-15)10-14-17-11(2)12(3)19-14/h13,16H,5-10H2,1-4H3
InChIKeyUPNRJEXDMBZEIA-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270211
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761910
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107004833
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104611138
N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611211
N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 116763428
N-[1-(4-methoxyoxan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116765137

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 116714793) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)c(C)s1)C1(OC)CCC1.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is UPNRJEXDMBZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-9-16-13(15(18-4)7-6-8-15)10-14-17-11(2)12(3)19-14/h13,16H,5-10H2,1-4H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 116714793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).