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

C18H15N5O3S — CID 152855471

IUPACN-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccncc1)NC(=O)c1scnc1-c1ccccn1
InChIInChI=1S/C18H15N5O3S/c19-17(25)15(24)13(9-11-4-7-20-8-5-11)23-18(26)16-14(22-10-27-16)12-3-1-2-6-21-12/h1-8,10,13H,9H2,(H2,19,25)(H,23,26)
InChIKeyTWHJPYWLNCVGPM-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.00
Rot. Bonds7

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

N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 152855471) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID152855471
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccncc1)NC(=O)c1scnc1-c1ccccn1
InChIInChI=1S/C18H15N5O3S/c19-17(25)15(24)13(9-11-4-7-20-8-5-11)23-18(26)16-14(22-10-27-16)12-3-1-2-6-21-12/h1-8,10,13H,9H2,(H2,19,25)(H,23,26)
InChIKeyTWHJPYWLNCVGPM-UHFFFAOYSA-N
XLogP1.00
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(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-phenylbutan-2-yl)-3-chloro-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 148993865
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-5-yl)butan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147165549
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-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 146778445
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147907616
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-pyridin-3-ylbutan-2-yl)-3-methyl-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153385251
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-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 148741054
N-[4-amino-1-(1-benzothiophen-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,3-oxazole-5-carboxamide
CID 153385466

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 152855471) is N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide is NC(=O)C(=O)C(Cc1ccncc1)NC(=O)c1scnc1-c1ccccn1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TWHJPYWLNCVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c19-17(25)15(24)13(9-11-4-7-20-8-5-11)23-18(26)16-14(22-10-27-16)12-3-1-2-6-21-12/h1-8,10,13H,9H2,(H2,19,25)(H,23,26).
What are the key properties of N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 152855471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).