2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C20H23N5OS — CID 67517669

IUPAC2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(N)=O)c(-c3ccc(N4CCCCC4)cc3)s2)cn1
InChIInChI=1S/C20H23N5OS/c1-2-25-13-15(12-22-25)20-23-17(19(21)26)18(27-20)14-6-8-16(9-7-14)24-10-4-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H2,21,26)
InChIKeyXCDPDFDBEDXICY-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.78
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67517669) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID67517669
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(N)=O)c(-c3ccc(N4CCCCC4)cc3)s2)cn1
InChIInChI=1S/C20H23N5OS/c1-2-25-13-15(12-22-25)20-23-17(19(21)26)18(27-20)14-6-8-16(9-7-14)24-10-4-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H2,21,26)
InChIKeyXCDPDFDBEDXICY-UHFFFAOYSA-N
XLogP3.78
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 76871051
4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 103570070
5-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 64985311
ethyl 2-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 103570054
ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate
CID 7658883
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4849196
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306
5-[4-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175918857
1-(1-ethylpyrazol-4-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 47051834
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3911128
2-amino-5-(azepan-1-yl)benzamide
CID 61313055

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 67517669) is 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide is CCn1cc(-c2nc(C(N)=O)c(-c3ccc(N4CCCCC4)cc3)s2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XCDPDFDBEDXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-25-13-15(12-22-25)20-23-17(19(21)26)18(27-20)14-6-8-16(9-7-14)24-10-4-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H2,21,26).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-5-(4-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67517669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).