N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide

C13H12N2O2S2 — CID 154852926

IUPACN-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)c1oncc1NC(=O)c1cc2sccc2s1
InChIInChI=1S/C13H12N2O2S2/c1-7(2)12-8(6-14-17-12)15-13(16)11-5-10-9(19-11)3-4-18-10/h3-7H,1-2H3,(H,15,16)
InChIKeyIMDLJMYHNNWCPU-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.33
Rot. Bonds3

About N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide

N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 154852926) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID154852926
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC NameN-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(C)c1oncc1NC(=O)c1cc2sccc2s1
InChIInChI=1S/C13H12N2O2S2/c1-7(2)12-8(6-14-17-12)15-13(16)11-5-10-9(19-11)3-4-18-10/h3-7H,1-2H3,(H,15,16)
InChIKeyIMDLJMYHNNWCPU-UHFFFAOYSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
5-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722706
N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107675579
5-iodo-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80723029
2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722215
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744691
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 103856618

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide (CID 154852926) is N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide is CC(C)c1oncc1NC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is IMDLJMYHNNWCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-7(2)12-8(6-14-17-12)15-13(16)11-5-10-9(19-11)3-4-18-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide?
N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,2-oxazol-4-yl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 154852926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).