3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide

C14H14N2O2S2 — CID 63797533

IUPAC3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nccs1)c1sccc1C#CCCO
InChIInChI=1S/C14H14N2O2S2/c17-8-2-1-3-11-5-9-20-13(11)14(18)16-6-4-12-15-7-10-19-12/h5,7,9-10,17H,2,4,6,8H2,(H,16,18)
InChIKeyCFKKYAPXTIZNQO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.91
Rot. Bonds5

About 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 63797533) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID63797533
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nccs1)c1sccc1C#CCCO
InChIInChI=1S/C14H14N2O2S2/c17-8-2-1-3-11-5-9-20-13(11)14(18)16-6-4-12-15-7-10-19-12/h5,7,9-10,17H,2,4,6,8H2,(H,16,18)
InChIKeyCFKKYAPXTIZNQO-UHFFFAOYSA-N
XLogP1.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
3-(4-hydroxybut-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 63796971
3-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 106406691
N-[4-(dimethylamino)butyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796452
3-(4-hydroxybut-1-ynyl)-N-(4-methylpentyl)thiophene-2-carboxamide
CID 63797508
3-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63797586
3-(4-hydroxybut-1-ynyl)-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 63796576
3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide
CID 63797936
N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106342103
3-(4-hydroxybut-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326811
3-(4-hydroxybut-1-ynyl)-N-[(1-methylcyclopropyl)methyl]thiophene-2-carboxamide
CID 114101672
3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide
CID 63797666

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide (CID 63797533) is 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1nccs1)c1sccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CFKKYAPXTIZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-8-2-1-3-11-5-9-20-13(11)14(18)16-6-4-12-15-7-10-19-12/h5,7,9-10,17H,2,4,6,8H2,(H,16,18).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 63797533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).