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

C14H14N6O2S — CID 154771104

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C2CC2)c1C(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C14H14N6O2S/c1-7-10(11(22-18-7)8-3-4-8)13(21)17-14-16-12(19-23-14)9-5-15-20(2)6-9/h5-6,8H,3-4H2,1-2H3,(H,16,17,19,21)
InChIKeyZCESEHCBSMESJL-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.36
Rot. Bonds4

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

5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide (PubChem CID 154771104) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
PubChem CID154771104
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C2CC2)c1C(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C14H14N6O2S/c1-7-10(11(22-18-7)8-3-4-8)13(21)17-14-16-12(19-23-14)9-5-15-20(2)6-9/h5-6,8H,3-4H2,1-2H3,(H,16,17,19,21)
InChIKeyZCESEHCBSMESJL-UHFFFAOYSA-N
XLogP2.36
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide (CID 154771104) is 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C2CC2)c1C(=O)Nc1nc(-c2cnn(C)c2)ns1.
What is the InChIKey of 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZCESEHCBSMESJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-7-10(11(22-18-7)8-3-4-8)13(21)17-14-16-12(19-23-14)9-5-15-20(2)6-9/h5-6,8H,3-4H2,1-2H3,(H,16,17,19,21).
What are the key properties of 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154771104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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