5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide

C21H19N5O2S — CID 112821652

IUPAC5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nc(-c3ccccc3OC)cs2)cnn1-c1ccccn1
InChIInChI=1S/C21H19N5O2S/c1-3-17-15(12-23-26(17)19-10-6-7-11-22-19)20(27)25-21-24-16(13-29-21)14-8-4-5-9-18(14)28-2/h4-13H,3H2,1-2H3,(H,24,25,27)
InChIKeyFNSDPKPORRLBCC-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.21
Rot. Bonds6

About 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 112821652) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID112821652
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nc(-c3ccccc3OC)cs2)cnn1-c1ccccn1
InChIInChI=1S/C21H19N5O2S/c1-3-17-15(12-23-26(17)19-10-6-7-11-22-19)20(27)25-21-24-16(13-29-21)14-8-4-5-9-18(14)28-2/h4-13H,3H2,1-2H3,(H,24,25,27)
InChIKeyFNSDPKPORRLBCC-UHFFFAOYSA-N
XLogP4.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31991225
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 46969790
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 55660760
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
5-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
CID 55722893
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31911009
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 112821652) is 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2nc(-c3ccccc3OC)cs2)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is FNSDPKPORRLBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-3-17-15(12-23-26(17)19-10-6-7-11-22-19)20(27)25-21-24-16(13-29-21)14-8-4-5-9-18(14)28-2/h4-13H,3H2,1-2H3,(H,24,25,27).
What are the key properties of 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 112821652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).