N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide

C10H9F2NO2S2 — CID 113258608

IUPACN-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc2sccc2s1
InChIInChI=1S/C10H9F2NO2S2/c11-9(12)5(14)4-13-10(15)8-3-7-6(17-8)1-2-16-7/h1-3,5,9,14H,4H2,(H,13,15)
InChIKeyMHQHLUCQFARJBF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.32
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 113258608) has the molecular formula C10H9F2NO2S2 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID113258608
Molecular FormulaC10H9F2NO2S2
Molecular Weight277.32 g/mol
Exact Mass277.00
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc2sccc2s1
InChIInChI=1S/C10H9F2NO2S2/c11-9(12)5(14)4-13-10(15)8-3-7-6(17-8)1-2-16-7/h1-3,5,9,14H,4H2,(H,13,15)
InChIKeyMHQHLUCQFARJBF-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168829
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-(2-amino-2-cyclopropylethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 115301067
N-(2-chloro-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168700
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
N-(3,3-difluoro-2-hydroxypropyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 113258539
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80721923

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide (CID 113258608) is N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide is O=C(NCC(O)C(F)F)c1cc2sccc2s1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is MHQHLUCQFARJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2S2/c11-9(12)5(14)4-13-10(15)8-3-7-6(17-8)1-2-16-7/h1-3,5,9,14H,4H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 113258608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).