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

C10H12N2OS2 — CID 80745015

IUPACN-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(CN)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C10H12N2OS2/c1-6(5-11)12-10(13)9-4-8-7(15-9)2-3-14-8/h2-4,6H,5,11H2,1H3,(H,12,13)
InChIKeyXKMOXRYPAYJWNJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds3

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

N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745015) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745015
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC NameN-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(CN)NC(=O)c1cc2sccc2s1
InChIInChI=1S/C10H12N2OS2/c1-6(5-11)12-10(13)9-4-8-7(15-9)2-3-14-8/h2-4,6H,5,11H2,1H3,(H,12,13)
InChIKeyXKMOXRYPAYJWNJ-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193
N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744691
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
(2S)-4-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanoic acid
CID 80733410
N-(1-amino-2-methylpropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744721
(2S)-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanedioic acid
CID 80733821
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 103856618
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide (CID 80745015) is N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide is CC(CN)NC(=O)c1cc2sccc2s1.
What is the InChIKey of N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is XKMOXRYPAYJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-6(5-11)12-10(13)9-4-8-7(15-9)2-3-14-8/h2-4,6H,5,11H2,1H3,(H,12,13).
What are the key properties of N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide?
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).