(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide

C12H15N3O3S — CID 97425770

IUPAC(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@H]1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H15N3O3S/c1-12(2)7(5-8(16)18-12)9(17)13-11-15-14-10(19-11)6-3-4-6/h6-7H,3-5H2,1-2H3,(H,13,15,17)/t7-/m0/s1
InChIKeyVVFKDLVDWGRMIO-ZETCQYMHSA-N
MW281.34 g/mol
LogP1.70
Rot. Bonds3

About (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide (PubChem CID 97425770) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
PubChem CID97425770
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@H]1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H15N3O3S/c1-12(2)7(5-8(16)18-12)9(17)13-11-15-14-10(19-11)6-3-4-6/h6-7H,3-5H2,1-2H3,(H,13,15,17)/t7-/m0/s1
InChIKeyVVFKDLVDWGRMIO-ZETCQYMHSA-N
XLogP1.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The IUPAC name of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide (CID 97425770) is (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide is CC1(C)OC(=O)C[C@H]1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The InChIKey is VVFKDLVDWGRMIO-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-12(2)7(5-8(16)18-12)9(17)13-11-15-14-10(19-11)6-3-4-6/h6-7H,3-5H2,1-2H3,(H,13,15,17)/t7-/m0/s1.
What are the key properties of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 97425770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).