N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide

C13H17N5O2S — CID 128991626

IUPACN-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cnns1
InChIInChI=1S/C13H17N5O2S/c1-7-11(8(2)18(3)16-7)12-9(4-5-20-12)15-13(19)10-6-14-17-21-10/h6,9,12H,4-5H2,1-3H3,(H,15,19)/t9-,12-/m0/s1
InChIKeyYLPOPEWZCYNTKS-CABZTGNLSA-N
MW307.38 g/mol
LogP1.15
Rot. Bonds3

About N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide

N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide (PubChem CID 128991626) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
PubChem CID128991626
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cnns1
InChIInChI=1S/C13H17N5O2S/c1-7-11(8(2)18(3)16-7)12-9(4-5-20-12)15-13(19)10-6-14-17-21-10/h6,9,12H,4-5H2,1-3H3,(H,15,19)/t9-,12-/m0/s1
InChIKeyYLPOPEWZCYNTKS-CABZTGNLSA-N
XLogP1.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide (CID 128991626) is N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cnns1.
What is the InChIKey of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
The InChIKey is YLPOPEWZCYNTKS-CABZTGNLSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-7-11(8(2)18(3)16-7)12-9(4-5-20-12)15-13(19)10-6-14-17-21-10/h6,9,12H,4-5H2,1-3H3,(H,15,19)/t9-,12-/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide?
N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 128991626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).