3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine

C9H12N2S — CID 82408720

IUPAC3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine
SMILESNC1(c2cnsc2)CC2CC2C1
InChIInChI=1S/C9H12N2S/c10-9(8-4-11-12-5-8)2-6-1-7(6)3-9/h4-7H,1-3,10H2
InChIKeyYNAAWHZAFAHKIF-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.73
Rot. Bonds1

About 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine

3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine (PubChem CID 82408720) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine
PubChem CID82408720
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine
SMILESNC1(c2cnsc2)CC2CC2C1
InChIInChI=1S/C9H12N2S/c10-9(8-4-11-12-5-8)2-6-1-7(6)3-9/h4-7H,1-3,10H2
InChIKeyYNAAWHZAFAHKIF-UHFFFAOYSA-N
XLogP1.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine (CID 82408720) is 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine is NC1(c2cnsc2)CC2CC2C1.
What is the InChIKey of 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The InChIKey is YNAAWHZAFAHKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c10-9(8-4-11-12-5-8)2-6-1-7(6)3-9/h4-7H,1-3,10H2.
What are the key properties of 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine has a molecular weight of 180.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 82408720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).