N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide

C19H15ClN4O3S — CID 148993865

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1snc(Cl)c1-c1ccccn1
InChIInChI=1S/C19H15ClN4O3S/c20-17-14(12-8-4-5-9-22-12)16(28-24-17)19(27)23-13(15(25)18(21)26)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H2,21,26)(H,23,27)
InChIKeyPYFHHHDQXXNDNI-UHFFFAOYSA-N
MW414.87 g/mol
LogP2.25
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide (PubChem CID 148993865) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
PubChem CID148993865
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1snc(Cl)c1-c1ccccn1
InChIInChI=1S/C19H15ClN4O3S/c20-17-14(12-8-4-5-9-22-12)16(28-24-17)19(27)23-13(15(25)18(21)26)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H2,21,26)(H,23,27)
InChIKeyPYFHHHDQXXNDNI-UHFFFAOYSA-N
XLogP2.25
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153385251
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-chloro-5-phenyl-1,2-thiazole-4-carboxamide
CID 142753746
N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 152855471
N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153386267
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153386125
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385303
N-[4-amino-1-(1-methylpyrrol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147878190
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 153483969
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153386322
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide (CID 148993865) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1snc(Cl)c1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The InChIKey is PYFHHHDQXXNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c20-17-14(12-8-4-5-9-22-12)16(28-24-17)19(27)23-13(15(25)18(21)26)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H2,21,26)(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 148993865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).