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

C20H18N4OS2 — CID 121169579

IUPACN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4OS2/c1-14-12-16(18-8-5-11-26-18)23-24(14)10-9-21-19(25)17-13-27-20(22-17)15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3,(H,21,25)
InChIKeyXOHAVNCFLJDMMF-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.47
Rot. Bonds6

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

N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 121169579) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID121169579
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4OS2/c1-14-12-16(18-8-5-11-26-18)23-24(14)10-9-21-19(25)17-13-27-20(22-17)15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3,(H,21,25)
InChIKeyXOHAVNCFLJDMMF-UHFFFAOYSA-N
XLogP4.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121169574
1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 121169591
7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121169592
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 121169877
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 122277905
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121169831
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169761
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 121169901
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
2-(2-methoxyphenoxy)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169703

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 121169579) is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is Cc1cc(-c2cccs2)nn1CCNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is XOHAVNCFLJDMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-14-12-16(18-8-5-11-26-18)23-24(14)10-9-21-19(25)17-13-27-20(22-17)15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3,(H,21,25).
What are the key properties of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 394.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121169579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).