(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

C14H19N5O2S — CID 128973107

IUPAC(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nnc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1
InChIInChI=1S/C14H19N5O2S/c1-7-11(8(2)19(4)18-7)12-10(5-6-21-12)13(20)15-14-17-16-9(3)22-14/h10,12H,5-6H2,1-4H3,(H,15,17,20)/t10-,12-/m0/s1
InChIKeyPKKUREDBHGADOS-JQWIXIFHSA-N
MW321.41 g/mol
LogP1.91
Rot. Bonds3

About (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128973107) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128973107
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nnc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1
InChIInChI=1S/C14H19N5O2S/c1-7-11(8(2)19(4)18-7)12-10(5-6-21-12)13(20)15-14-17-16-9(3)22-14/h10,12H,5-6H2,1-4H3,(H,15,17,20)/t10-,12-/m0/s1
InChIKeyPKKUREDBHGADOS-JQWIXIFHSA-N
XLogP1.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
(2S,3S)-N-(2,6-dimethyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128972023
(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128995869
(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129325500
2-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 128973060
(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129326780
(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129327246
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973168
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
1-[1-(oxolan-3-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128990703
(2S,3S)-N-(1,5-dimethyl-2-oxo-3-pyridinyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973917

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 128973107) is (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1nnc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1.
What is the InChIKey of (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is PKKUREDBHGADOS-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-7-11(8(2)19(4)18-7)12-10(5-6-21-12)13(20)15-14-17-16-9(3)22-14/h10,12H,5-6H2,1-4H3,(H,15,17,20)/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128973107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).