N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide

C13H12N4O2S2 — CID 110932034

IUPACN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)nn1CCO)c1cscn1
InChIInChI=1S/C13H12N4O2S2/c18-4-3-17-12(15-13(19)10-7-20-8-14-10)6-9(16-17)11-2-1-5-21-11/h1-2,5-8,18H,3-4H2,(H,15,19)
InChIKeyOIWNVYLAXSZXBA-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.31
Rot. Bonds5

About N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide

N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 110932034) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID110932034
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)nn1CCO)c1cscn1
InChIInChI=1S/C13H12N4O2S2/c18-4-3-17-12(15-13(19)10-7-20-8-14-10)6-9(16-17)11-2-1-5-21-11/h1-2,5-8,18H,3-4H2,(H,15,19)
InChIKeyOIWNVYLAXSZXBA-UHFFFAOYSA-N
XLogP2.31
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 110928302
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
CID 110928260
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 110928296
3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
CID 111456737
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-hydroxyphenyl)acetamide
CID 110929023
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 110928235
N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
CID 99838266
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167942610
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 155913126
ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 121169579

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide (CID 110932034) is N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(-c2cccs2)nn1CCO)c1cscn1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OIWNVYLAXSZXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c18-4-3-17-12(15-13(19)10-7-20-8-14-10)6-9(16-17)11-2-1-5-21-11/h1-2,5-8,18H,3-4H2,(H,15,19).
What are the key properties of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide?
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110932034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).