N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide

C12H11N3OS2 — CID 103856618

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2s1)c1cn[nH]c1
InChIInChI=1S/C12H11N3OS2/c1-7(8-5-13-14-6-8)15-12(16)11-4-10-9(18-11)2-3-17-10/h2-7H,1H3,(H,13,14)(H,15,16)
InChIKeyOVHFSZZWABNLBD-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 103856618) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID103856618
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESCC(NC(=O)c1cc2sccc2s1)c1cn[nH]c1
InChIInChI=1S/C12H11N3OS2/c1-7(8-5-13-14-6-8)15-12(16)11-4-10-9(18-11)2-3-17-10/h2-7H,1H3,(H,13,14)(H,15,16)
InChIKeyOVHFSZZWABNLBD-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 113339601
2-(thieno[3,2-b]thiophene-5-carbonylamino)propanoic acid
CID 80729193
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
2-(1-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114158941
N-[1-(1H-pyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 103856243
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106212855
(E)-3-[5-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 106217899
N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744691
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 106212701
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide (CID 103856618) is N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide is CC(NC(=O)c1cc2sccc2s1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is OVHFSZZWABNLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-7(8-5-13-14-6-8)15-12(16)11-4-10-9(18-11)2-3-17-10/h2-7H,1H3,(H,13,14)(H,15,16).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 103856618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).