N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine

C11H18N2OS — CID 106823127

IUPACN-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCCNC1(c2nc(C)cs2)CC(OC)C1
InChIInChI=1S/C11H18N2OS/c1-4-12-11(5-9(6-11)14-3)10-13-8(2)7-15-10/h7,9,12H,4-6H2,1-3H3
InChIKeyXDZLPDVGLNDLAO-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.07
Rot. Bonds4

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

N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine (PubChem CID 106823127) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
PubChem CID106823127
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCCNC1(c2nc(C)cs2)CC(OC)C1
InChIInChI=1S/C11H18N2OS/c1-4-12-11(5-9(6-11)14-3)10-13-8(2)7-15-10/h7,9,12H,4-6H2,1-3H3
InChIKeyXDZLPDVGLNDLAO-UHFFFAOYSA-N
XLogP2.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330024
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CID 114819099
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine
CID 61331971
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449620
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64751515
4-(ethylamino)-N,N-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 83266070
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 64514285
N-ethyl-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)oxolan-3-amine
CID 82717309
N-ethyl-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64753478
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103563911
1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55106298

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine (CID 106823127) is N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine is CCNC1(c2nc(C)cs2)CC(OC)C1.
What is the InChIKey of N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is XDZLPDVGLNDLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-12-11(5-9(6-11)14-3)10-13-8(2)7-15-10/h7,9,12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 106823127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).