2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C14H10N6O2S3 — CID 18131241

IUPAC2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H10N6O2S3/c21-11(16-13-15-9(8-25-13)10-3-1-5-23-10)7-19-14(22)20(18-17-19)12-4-2-6-24-12/h1-6,8H,7H2,(H,15,16,21)
InChIKeyQJRURABGVQAVHR-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.31
Rot. Bonds5

About 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 18131241) has the molecular formula C14H10N6O2S3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID18131241
Molecular FormulaC14H10N6O2S3
Molecular Weight390.48 g/mol
Exact Mass390.00
IUPAC Name2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C14H10N6O2S3/c21-11(16-13-15-9(8-25-13)10-3-1-5-23-10)7-19-14(22)20(18-17-19)12-4-2-6-24-12/h1-6,8H,7H2,(H,15,16,21)
InChIKeyQJRURABGVQAVHR-UHFFFAOYSA-N
XLogP2.31
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2337188
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31510009
N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17478619
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24626303
N-(2-bromo-4,6-difluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 39019473
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2474420
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 33081996
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24599967

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 18131241) is 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QJRURABGVQAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2S3/c21-11(16-13-15-9(8-25-13)10-3-1-5-23-10)7-19-14(22)20(18-17-19)12-4-2-6-24-12/h1-6,8H,7H2,(H,15,16,21).
What are the key properties of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 390.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18131241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).