2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one

C6H6N2OS — CID 11852658

IUPAC2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one
SMILESNc1nc2c(s1)C(=O)CC2
InChIInChI=1S/C6H6N2OS/c7-6-8-3-1-2-4(9)5(3)10-6/h1-2H2,(H2,7,8)
InChIKeyWWCOWASLMPTQDE-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.85
Rot. Bonds

About 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one

2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one (PubChem CID 11852658) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one.

Molecular Properties

Compound Name2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one
PubChem CID11852658
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one
SMILESNc1nc2c(s1)C(=O)CC2
InChIInChI=1S/C6H6N2OS/c7-6-8-3-1-2-4(9)5(3)10-6/h1-2H2,(H2,7,8)
InChIKeyWWCOWASLMPTQDE-UHFFFAOYSA-N
XLogP0.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one?
The IUPAC name of 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one (CID 11852658) is 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one.
What is the SMILES notation for 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one?
The canonical SMILES for 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one is Nc1nc2c(s1)C(=O)CC2.
What is the InChIKey of 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one?
The InChIKey is WWCOWASLMPTQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c7-6-8-3-1-2-4(9)5(3)10-6/h1-2H2,(H2,7,8).
What are the key properties of 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one?
2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one has a molecular weight of 154.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dihydrocyclopenta[d][1,3]thiazol-6-one is sourced from PubChem (CID 11852658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).