4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

C8H13N3S — CID 83876316

IUPAC4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCNCC1CCc2sc(N)nc21
InChIInChI=1S/C8H13N3S/c1-10-4-5-2-3-6-7(5)11-8(9)12-6/h5,10H,2-4H2,1H3,(H2,9,11)
InChIKeyFKRHGAKOZNIQCS-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.97
Rot. Bonds2

About 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 83876316) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID83876316
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCNCC1CCc2sc(N)nc21
InChIInChI=1S/C8H13N3S/c1-10-4-5-2-3-6-7(5)11-8(9)12-6/h5,10H,2-4H2,1H3,(H2,9,11)
InChIKeyFKRHGAKOZNIQCS-UHFFFAOYSA-N
XLogP0.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 83876316) is 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is CNCC1CCc2sc(N)nc21.
What is the InChIKey of 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is FKRHGAKOZNIQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-10-4-5-2-3-6-7(5)11-8(9)12-6/h5,10H,2-4H2,1H3,(H2,9,11).
What are the key properties of 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 83876316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).