N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide

C14H22N4O2S — CID 66213272

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)C1=C(SN=N1)C(=O)NC2C(C3C2OCCC3)N
InChIInChI=1S/C14H22N4O2S/c1-14(2,3)12-11(21-18-17-12)13(19)16-9-8(15)7-5-4-6-20-10(7)9/h7-10H,4-6,15H2,1-3H3,(H,16,19)
InChIKeyUZFTYWQSKMHGGJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.40
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 66213272) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID66213272
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)C1=C(SN=N1)C(=O)NC2C(C3C2OCCC3)N
InChIInChI=1S/C14H22N4O2S/c1-14(2,3)12-11(21-18-17-12)13(19)16-9-8(15)7-5-4-6-20-10(7)9/h7-10H,4-6,15H2,1-3H3,(H,16,19)
InChIKeyUZFTYWQSKMHGGJ-UHFFFAOYSA-N
XLogP1.40
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity414

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide (CID 66213272) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide is CC(C)(C)C1=C(SN=N1)C(=O)NC2C(C3C2OCCC3)N.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is UZFTYWQSKMHGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-14(2,3)12-11(21-18-17-12)13(19)16-9-8(15)7-5-4-6-20-10(7)9/h7-10H,4-6,15H2,1-3H3,(H,16,19).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 66213272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).