7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C11H17N3OS — CID 66210547

IUPAC7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCc1csc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C11H17N3OS/c1-2-6-5-16-11(13-6)14-9-8(12)7-3-4-15-10(7)9/h5,7-10H,2-4,12H2,1H3,(H,13,14)
InChIKeyFKUWVJAQHUODGZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.23
Rot. Bonds3

About 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 66210547) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID66210547
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCc1csc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C11H17N3OS/c1-2-6-5-16-11(13-6)14-9-8(12)7-3-4-15-10(7)9/h5,7-10H,2-4,12H2,1H3,(H,13,14)
InChIKeyFKUWVJAQHUODGZ-UHFFFAOYSA-N
XLogP1.23
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine with MolForge

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Related Compounds

8-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66212532
7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66195566
7-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66213064
7-N-(2,6-dimethylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66210541
4-ethyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
CID 62961373
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
2-[(4-ethyl-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 62961190
7-N-(1,2,4-benzotriazin-3-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 103204722
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
4-ethyl-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
CID 64923383
4-ethyl-N-(3-fluorocyclopentyl)-1,3-thiazol-2-amine
CID 130607879
7-N-[5-(trifluoromethyl)-2-pyridinyl]-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66211893

Frequently Asked Questions

What is the IUPAC name of 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 66210547) is 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is CCc1csc(NC2C(N)C3CCOC32)n1.
What is the InChIKey of 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is FKUWVJAQHUODGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-6-5-16-11(13-6)14-9-8(12)7-3-4-15-10(7)9/h5,7-10H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 239.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 66210547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).