N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C17H14N6O2S — CID 154669291

IUPACN-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1
InChIInChI=1S/C17H14N6O2S/c1-23-14(5-6-20-23)16(25)19-9-15(24)22-17-21-13(10-26-17)12-4-2-3-11(7-12)8-18/h2-7,10H,9H2,1H3,(H,19,25)(H,21,22,24)
InChIKeyYQXKTPQCRRDZPF-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.78
Rot. Bonds5

About N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 154669291) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID154669291
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1
InChIInChI=1S/C17H14N6O2S/c1-23-14(5-6-20-23)16(25)19-9-15(24)22-17-21-13(10-26-17)12-4-2-3-11(7-12)8-18/h2-7,10H,9H2,1H3,(H,19,25)(H,21,22,24)
InChIKeyYQXKTPQCRRDZPF-UHFFFAOYSA-N
XLogP1.78
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-(2-cyanopropan-2-yl)pyrrole-3-carboxamide
CID 154668270
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-cyclobutylideneethyl]-3-methylimidazole-4-carboxamide
CID 154668095
N-[2-[[4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154667679
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
N-[2-[[4-[3-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide;methane
CID 158667083
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
CID 166521641
1-tert-butyl-N-[2-[[4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
CID 154668412
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037500
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;5-methyl-2-propylheptanenitrile
CID 154669862

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 154669291) is N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1.
What is the InChIKey of N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is YQXKTPQCRRDZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-23-14(5-6-20-23)16(25)19-9-15(24)22-17-21-13(10-26-17)12-4-2-3-11(7-12)8-18/h2-7,10H,9H2,1H3,(H,19,25)(H,21,22,24).
What are the key properties of N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154669291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).