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

C7H10N2S — CID 127003788

IUPAC2-(1,2-thiazol-3-yl)cyclobutan-1-amine
SMILESNC1CCC1c1ccsn1
InChIInChI=1S/C7H10N2S/c8-6-2-1-5(6)7-3-4-10-9-7/h3-6H,1-2,8H2
InChIKeyYKPVKHZHBKNSBT-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.35
Rot. Bonds1

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

2-(1,2-thiazol-3-yl)cyclobutan-1-amine (PubChem CID 127003788) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(1,2-thiazol-3-yl)cyclobutan-1-amine
PubChem CID127003788
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-(1,2-thiazol-3-yl)cyclobutan-1-amine
SMILESNC1CCC1c1ccsn1
InChIInChI=1S/C7H10N2S/c8-6-2-1-5(6)7-3-4-10-9-7/h3-6H,1-2,8H2
InChIKeyYKPVKHZHBKNSBT-UHFFFAOYSA-N
XLogP1.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-3-yl)cyclobutan-1-amine?
The IUPAC name of 2-(1,2-thiazol-3-yl)cyclobutan-1-amine (CID 127003788) is 2-(1,2-thiazol-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 2-(1,2-thiazol-3-yl)cyclobutan-1-amine?
The canonical SMILES for 2-(1,2-thiazol-3-yl)cyclobutan-1-amine is NC1CCC1c1ccsn1.
What is the InChIKey of 2-(1,2-thiazol-3-yl)cyclobutan-1-amine?
The InChIKey is YKPVKHZHBKNSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c8-6-2-1-5(6)7-3-4-10-9-7/h3-6H,1-2,8H2.
What are the key properties of 2-(1,2-thiazol-3-yl)cyclobutan-1-amine?
2-(1,2-thiazol-3-yl)cyclobutan-1-amine has a molecular weight of 154.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 127003788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).