4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide

C11H8N4O2S3 — CID 175872125

IUPAC4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(-c2c(-c3ccsc3)noc2C(N)=O)s1
InChIInChI=1S/C11H8N4O2S3/c1-18-11-14-13-10(20-11)6-7(5-2-3-19-4-5)15-17-8(6)9(12)16/h2-4H,1H3,(H2,12,16)
InChIKeyBVHKKGXTJBYPGO-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.74
Rot. Bonds4

About 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide

4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 175872125) has the molecular formula C11H8N4O2S3 and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
PubChem CID175872125
Molecular FormulaC11H8N4O2S3
Molecular Weight324.41 g/mol
Exact Mass323.98
IUPAC Name4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(-c2c(-c3ccsc3)noc2C(N)=O)s1
InChIInChI=1S/C11H8N4O2S3/c1-18-11-14-13-10(20-11)6-7(5-2-3-19-4-5)15-17-8(6)9(12)16/h2-4H,1H3,(H2,12,16)
InChIKeyBVHKKGXTJBYPGO-UHFFFAOYSA-N
XLogP2.74
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

3-Thiophen-3-yl-1,2-oxazole-5-carboxamide
CID 776506
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
CID 171781557
4-[5-(4-Amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
CID 175872110
N-ethoxy-3-(3-methylthiophen-2-yl)-1,2-oxazole-5-carboxamide
CID 24859868
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 53601135
3-(5-Methylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501044
3-(5-Ethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501896
4-Thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 62502395
3,4-Dithiophen-2-yl-1,2-oxazol-5-amine
CID 62503080
3-(4,5-Dimethylthiophen-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65238973
5-Methyl-4-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73949279
5-(3,5-dimethylisoxazol-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 132409868

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide (CID 175872125) is 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide is CSc1nnc(-c2c(-c3ccsc3)noc2C(N)=O)s1.
What is the InChIKey of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is BVHKKGXTJBYPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S3/c1-18-11-14-13-10(20-11)6-7(5-2-3-19-4-5)15-17-8(6)9(12)16/h2-4H,1H3,(H2,12,16).
What are the key properties of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 175872125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).