N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

C16H14N6O3S — CID 153386185

IUPACN-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1nccs1)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C16H14N6O3S/c17-15(24)14(23)10(7-13-20-5-6-26-13)21-16(25)11-8-18-9-22(11)12-3-1-2-4-19-12/h1-6,8-10H,7H2,(H2,17,24)(H,21,25)
InChIKeyHCYJJUKOBAFWTL-UHFFFAOYSA-N
MW370.39 g/mol
LogP0.12
Rot. Bonds7

About N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 153386185) has the molecular formula C16H14N6O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
PubChem CID153386185
Molecular FormulaC16H14N6O3S
Molecular Weight370.39 g/mol
Exact Mass370.08
IUPAC NameN-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1nccs1)NC(=O)c1cncn1-c1ccccn1
InChIInChI=1S/C16H14N6O3S/c17-15(24)14(23)10(7-13-20-5-6-26-13)21-16(25)11-8-18-9-22(11)12-3-1-2-4-19-12/h1-6,8-10H,7H2,(H2,17,24)(H,21,25)
InChIKeyHCYJJUKOBAFWTL-UHFFFAOYSA-N
XLogP0.12
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The IUPAC name of N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (CID 153386185) is N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is NC(=O)C(=O)C(Cc1nccs1)NC(=O)c1cncn1-c1ccccn1.
What is the InChIKey of N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
The InChIKey is HCYJJUKOBAFWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3S/c17-15(24)14(23)10(7-13-20-5-6-26-13)21-16(25)11-8-18-9-22(11)12-3-1-2-4-19-12/h1-6,8-10H,7H2,(H2,17,24)(H,21,25).
What are the key properties of N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?
N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3,4-dioxo-1-(1,3-thiazol-2-yl)butan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 153386185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).