2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one

C8H10N2OS — CID 25130828

IUPAC2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one
SMILESNc1nc2c(s1)C(=O)CCCC2
InChIInChI=1S/C8H10N2OS/c9-8-10-5-3-1-2-4-6(11)7(5)12-8/h1-4H2,(H2,9,10)
InChIKeyNFAOGEPIABIIAN-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.63
Rot. Bonds

About 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one

2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one (PubChem CID 25130828) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one.

Molecular Properties

Compound Name2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one
PubChem CID25130828
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one
SMILESNc1nc2c(s1)C(=O)CCCC2
InChIInChI=1S/C8H10N2OS/c9-8-10-5-3-1-2-4-6(11)7(5)12-8/h1-4H2,(H2,9,10)
InChIKeyNFAOGEPIABIIAN-UHFFFAOYSA-N
XLogP1.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one?
The IUPAC name of 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one (CID 25130828) is 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one.
What is the SMILES notation for 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one?
The canonical SMILES for 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one is Nc1nc2c(s1)C(=O)CCCC2.
What is the InChIKey of 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one?
The InChIKey is NFAOGEPIABIIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-8-10-5-3-1-2-4-6(11)7(5)12-8/h1-4H2,(H2,9,10).
What are the key properties of 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one?
2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one has a molecular weight of 182.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6,7-tetrahydrocyclohepta[d][1,3]thiazol-8-one is sourced from PubChem (CID 25130828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).