3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide

C10H12N4O2S — CID 32624640

IUPAC3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C(C)C)s2)on1
InChIInChI=1S/C10H12N4O2S/c1-5(2)9-12-13-10(17-9)11-8(15)7-4-6(3)14-16-7/h4-5H,1-3H3,(H,11,13,15)
InChIKeyXOWQLDIBODAOKP-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.21
Rot. Bonds3

About 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide

3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 32624640) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID32624640
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C(C)C)s2)on1
InChIInChI=1S/C10H12N4O2S/c1-5(2)9-12-13-10(17-9)11-8(15)7-4-6(3)14-16-7/h4-5H,1-3H3,(H,11,13,15)
InChIKeyXOWQLDIBODAOKP-UHFFFAOYSA-N
XLogP2.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide (CID 32624640) is 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2nnc(C(C)C)s2)on1.
What is the InChIKey of 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is XOWQLDIBODAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-5(2)9-12-13-10(17-9)11-8(15)7-4-6(3)14-16-7/h4-5H,1-3H3,(H,11,13,15).
What are the key properties of 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 32624640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).