4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine

C6H10N2S — CID 90899320

IUPAC4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine
SMILESNC1CC2N=CSC2C1
InChIInChI=1S/C6H10N2S/c7-4-1-5-6(2-4)9-3-8-5/h3-6H,1-2,7H2
InChIKeyDGKHDSRZLBEPKP-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.62
Rot. Bonds

About 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine (PubChem CID 90899320) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine
PubChem CID90899320
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine
SMILESNC1CC2N=CSC2C1
InChIInChI=1S/C6H10N2S/c7-4-1-5-6(2-4)9-3-8-5/h3-6H,1-2,7H2
InChIKeyDGKHDSRZLBEPKP-UHFFFAOYSA-N
XLogP0.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine?
The IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine (CID 90899320) is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine.
What is the SMILES notation for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine?
The canonical SMILES for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine is NC1CC2N=CSC2C1.
What is the InChIKey of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine?
The InChIKey is DGKHDSRZLBEPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-4-1-5-6(2-4)9-3-8-5/h3-6H,1-2,7H2.
What are the key properties of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine?
4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine has a molecular weight of 142.23 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-5-amine is sourced from PubChem (CID 90899320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).