3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine

C11H12N2S2 — CID 116965488

IUPAC3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3cccs3)cs2)C1
InChIInChI=1S/C11H12N2S2/c12-8-4-7(5-8)11-13-9(6-15-11)10-2-1-3-14-10/h1-3,6-8H,4-5,12H2
InChIKeyFQPMJIJXWQJSGU-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.08
Rot. Bonds2

About 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine

3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine (PubChem CID 116965488) has the molecular formula C11H12N2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
PubChem CID116965488
Molecular FormulaC11H12N2S2
Molecular Weight236.36 g/mol
Exact Mass236.04
IUPAC Name3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3cccs3)cs2)C1
InChIInChI=1S/C11H12N2S2/c12-8-4-7(5-8)11-13-9(6-15-11)10-2-1-3-14-10/h1-3,6-8H,4-5,12H2
InChIKeyFQPMJIJXWQJSGU-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965515
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
[1-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropyl]methanol
CID 116966897
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
CID 71778838
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropanesulfonamide
CID 108783082
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907981
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968907
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263

Frequently Asked Questions

What is the IUPAC name of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine (CID 116965488) is 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine is NC1CC(c2nc(-c3cccs3)cs2)C1.
What is the InChIKey of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is FQPMJIJXWQJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c12-8-4-7(5-8)11-13-9(6-15-11)10-2-1-3-14-10/h1-3,6-8H,4-5,12H2.
What are the key properties of 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine?
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116965488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).