4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide

C10H12N4O2S — CID 53167422

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NC(C)C)n2)n1
InChIInChI=1S/C10H12N4O2S/c1-5(2)11-8(15)10-13-7(4-17-10)9-12-6(3)14-16-9/h4-5H,1-3H3,(H,11,15)
InChIKeySJEISWRIUOLEKU-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.64
Rot. Bonds3

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 53167422) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID53167422
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NC(C)C)n2)n1
InChIInChI=1S/C10H12N4O2S/c1-5(2)11-8(15)10-13-7(4-17-10)9-12-6(3)14-16-9/h4-5H,1-3H3,(H,11,15)
InChIKeySJEISWRIUOLEKU-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide (CID 53167422) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide is Cc1noc(-c2csc(C(=O)NC(C)C)n2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is SJEISWRIUOLEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-5(2)11-8(15)10-13-7(4-17-10)9-12-6(3)14-16-9/h4-5H,1-3H3,(H,11,15).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53167422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).