N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine

C12H20N2S — CID 103563902

IUPACN-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCCNC1(c2nccs2)CC(C(C)C)C1
InChIInChI=1S/C12H20N2S/c1-4-14-12(11-13-5-6-15-11)7-10(8-12)9(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyQFGAIPOWVYKRLC-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine

N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine (PubChem CID 103563902) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
PubChem CID103563902
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCCNC1(c2nccs2)CC(C(C)C)C1
InChIInChI=1S/C12H20N2S/c1-4-14-12(11-13-5-6-15-11)7-10(8-12)9(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyQFGAIPOWVYKRLC-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103563911
5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
CID 79949785
N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449620
N-cyclopropyl-3-ethyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64516678
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
N-ethyl-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64753478
1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130632851
N-cyclopropyl-3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563943
3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64514523
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103563897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine (CID 103563902) is N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine is CCNC1(c2nccs2)CC(C(C)C)C1.
What is the InChIKey of N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is QFGAIPOWVYKRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-14-12(11-13-5-6-15-11)7-10(8-12)9(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 103563902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).