N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C20H15Cl2N5O3S — CID 55435270

IUPACN-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2N5O3S/c21-13-4-3-12(15(22)8-13)10-27-17(5-6-23-27)25-18(28)9-14-11-31-20(24-14)26-19(29)16-2-1-7-30-16/h1-8,11H,9-10H2,(H,25,28)(H,24,26,29)
InChIKeyBUURQPAHENAJJG-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.72
Rot. Bonds7

About N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55435270) has the molecular formula C20H15Cl2N5O3S and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID55435270
Molecular FormulaC20H15Cl2N5O3S
Molecular Weight476.35 g/mol
Exact Mass475.03
IUPAC NameN-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2N5O3S/c21-13-4-3-12(15(22)8-13)10-27-17(5-6-23-27)25-18(28)9-14-11-31-20(24-14)26-19(29)16-2-1-7-30-16/h1-8,11H,9-10H2,(H,25,28)(H,24,26,29)
InChIKeyBUURQPAHENAJJG-UHFFFAOYSA-N
XLogP4.72
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26586291
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16568103
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699089
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40917855
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
N-[4-[2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 38333241
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526714

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55435270) is N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is BUURQPAHENAJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3S/c21-13-4-3-12(15(22)8-13)10-27-17(5-6-23-27)25-18(28)9-14-11-31-20(24-14)26-19(29)16-2-1-7-30-16/h1-8,11H,9-10H2,(H,25,28)(H,24,26,29).
What are the key properties of N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 476.35 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55435270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).