2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

C13H12N4OS2 — CID 47429703

IUPAC2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(-c3cccs3)[nH]n2)s1
InChIInChI=1S/C13H12N4OS2/c1-2-12-14-7-10(20-12)13(18)15-11-6-8(16-17-11)9-4-3-5-19-9/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyFWILXJFVQSLWPF-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.41
Rot. Bonds4

About 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47429703) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID47429703
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(-c3cccs3)[nH]n2)s1
InChIInChI=1S/C13H12N4OS2/c1-2-12-14-7-10(20-12)13(18)15-11-6-8(16-17-11)9-4-3-5-19-9/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyFWILXJFVQSLWPF-UHFFFAOYSA-N
XLogP3.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47343912
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
CID 47343840
3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 55977222
5-methyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47343826
4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719488
2-ethyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47426149
N-(3-acetylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47425777
2-butyl-1,3-dioxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)isoindole-5-carboxamide
CID 52719410
2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 52719424
methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 52719432
N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55975946
2-piperidin-4-yloxy-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 167871901

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 47429703) is 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2cc(-c3cccs3)[nH]n2)s1.
What is the InChIKey of 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FWILXJFVQSLWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-2-12-14-7-10(20-12)13(18)15-11-6-8(16-17-11)9-4-3-5-19-9/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47429703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).