4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide

C9H13N3O2S — CID 7576712

IUPAC4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-12-11-6)9(13)10-5-7-3-2-4-14-7/h7H,2-5H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyGFCDQFKTHSGJRF-SSDOTTSWSA-N
MW227.29 g/mol
LogP0.76
Rot. Bonds3

About 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide

4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 7576712) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID7576712
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-12-11-6)9(13)10-5-7-3-2-4-14-7/h7H,2-5H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyGFCDQFKTHSGJRF-SSDOTTSWSA-N
XLogP0.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide (CID 7576712) is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is GFCDQFKTHSGJRF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-8(15-12-11-6)9(13)10-5-7-3-2-4-14-7/h7H,2-5H2,1H3,(H,10,13)/t7-/m1/s1.
What are the key properties of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 7576712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).