N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

C16H14N4O2S — CID 11609536

IUPACN-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1noc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1
InChIInChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)
InChIKeyLEMHEWSZQBDQCZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.52
Rot. Bonds4

About N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 11609536) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID11609536
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1noc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1
InChIInChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21)
InChIKeyLEMHEWSZQBDQCZ-UHFFFAOYSA-N
XLogP3.52
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 11609536) is N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is Cc1noc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1.
What is the InChIKey of N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is LEMHEWSZQBDQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-17-15(22-20-9)13-12(10-5-3-2-4-6-10)18-16(23-13)19-14(21)11-7-8-11/h2-6,11H,7-8H2,1H3,(H,18,19,21).
What are the key properties of N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11609536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).