N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide

C11H17N3O3S — CID 91771109

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C11H17N3O3S/c1-6(2)9-10(18-14-13-9)11(16)12-7-5-17-4-3-8(7)15/h6-8,15H,3-5H2,1-2H3,(H,12,16)/t7-,8-/m1/s1
InChIKeyBOKAXELIMGHUNT-HTQZYQBOSA-N
MW271.34 g/mol
LogP0.54
Rot. Bonds3

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 91771109) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID91771109
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C11H17N3O3S/c1-6(2)9-10(18-14-13-9)11(16)12-7-5-17-4-3-8(7)15/h6-8,15H,3-5H2,1-2H3,(H,12,16)/t7-,8-/m1/s1
InChIKeyBOKAXELIMGHUNT-HTQZYQBOSA-N
XLogP0.54
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 91771109) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N[C@@H]1COCC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is BOKAXELIMGHUNT-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6(2)9-10(18-14-13-9)11(16)12-7-5-17-4-3-8(7)15/h6-8,15H,3-5H2,1-2H3,(H,12,16)/t7-,8-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 91771109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).