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

C10H10N4O2S — CID 29411988

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CC3)s2)on1
InChIInChI=1S/C10H10N4O2S/c1-5-4-7(16-14-5)8(15)11-10-13-12-9(17-10)6-2-3-6/h4,6H,2-3H2,1H3,(H,11,13,15)
InChIKeyFFIMZPUFGKDBGA-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.96
Rot. Bonds3

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 29411988) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID29411988
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CC3)s2)on1
InChIInChI=1S/C10H10N4O2S/c1-5-4-7(16-14-5)8(15)11-10-13-12-9(17-10)6-2-3-6/h4,6H,2-3H2,1H3,(H,11,13,15)
InChIKeyFFIMZPUFGKDBGA-UHFFFAOYSA-N
XLogP1.96
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 29411988) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2nnc(C3CC3)s2)on1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is FFIMZPUFGKDBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-5-4-7(16-14-5)8(15)11-10-13-12-9(17-10)6-2-3-6/h4,6H,2-3H2,1H3,(H,11,13,15).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 29411988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).