N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide

C10H7NOS2 — CID 112732738

IUPACN-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
SMILESC#CCNC(=O)c1cc2sccc2s1
InChIInChI=1S/C10H7NOS2/c1-2-4-11-10(12)9-6-8-7(14-9)3-5-13-8/h1,3,5-6H,4H2,(H,11,12)
InChIKeyBOCSXGQPQBFSNM-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.33
Rot. Bonds2

About N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide

N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 112732738) has the molecular formula C10H7NOS2 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID112732738
Molecular FormulaC10H7NOS2
Molecular Weight221.31 g/mol
Exact Mass221.00
IUPAC NameN-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
SMILESC#CCNC(=O)c1cc2sccc2s1
InChIInChI=1S/C10H7NOS2/c1-2-4-11-10(12)9-6-8-7(14-9)3-5-13-8/h1,3,5-6H,4H2,(H,11,12)
InChIKeyBOCSXGQPQBFSNM-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
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-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168829
N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78995131
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80738759
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
N-(3,3-difluoro-2-hydroxypropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113258608
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
N-(2-chloro-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168700
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide (CID 112732738) is N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide is C#CCNC(=O)c1cc2sccc2s1.
What is the InChIKey of N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is BOCSXGQPQBFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS2/c1-2-4-11-10(12)9-6-8-7(14-9)3-5-13-8/h1,3,5-6H,4H2,(H,11,12).
What are the key properties of N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide?
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 221.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 112732738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).