3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine

C10H14N2S — CID 82400767

IUPAC3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine
SMILESCc1sncc1C1(N)CC2CC2C1
InChIInChI=1S/C10H14N2S/c1-6-9(5-12-13-6)10(11)3-7-2-8(7)4-10/h5,7-8H,2-4,11H2,1H3
InChIKeyCFSXFWJXFZPRCE-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.04
Rot. Bonds1

About 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine

3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine (PubChem CID 82400767) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine
PubChem CID82400767
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine
SMILESCc1sncc1C1(N)CC2CC2C1
InChIInChI=1S/C10H14N2S/c1-6-9(5-12-13-6)10(11)3-7-2-8(7)4-10/h5,7-8H,2-4,11H2,1H3
InChIKeyCFSXFWJXFZPRCE-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine (CID 82400767) is 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine is Cc1sncc1C1(N)CC2CC2C1.
What is the InChIKey of 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The InChIKey is CFSXFWJXFZPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-6-9(5-12-13-6)10(11)3-7-2-8(7)4-10/h5,7-8H,2-4,11H2,1H3.
What are the key properties of 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine has a molecular weight of 194.30 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-thiazol-4-yl)bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 82400767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).