N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C8H5BrN4O3S — CID 60654717

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H5BrN4O3S/c9-4-2-11-8(17-4)13-6(15)3-1-10-7(16)12-5(3)14/h1-2H,(H,11,13,15)(H2,10,12,14,16)
InChIKeyQMCPQRGGVQSPKL-UHFFFAOYSA-N
MW317.12 g/mol
LogP0.53
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 60654717) has the molecular formula C8H5BrN4O3S and a molecular weight of 317.12 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID60654717
Molecular FormulaC8H5BrN4O3S
Molecular Weight317.12 g/mol
Exact Mass315.93
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H5BrN4O3S/c9-4-2-11-8(17-4)13-6(15)3-1-10-7(16)12-5(3)14/h1-2H,(H,11,13,15)(H2,10,12,14,16)
InChIKeyQMCPQRGGVQSPKL-UHFFFAOYSA-N
XLogP0.53
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 60654717) is N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ncc(Br)s1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QMCPQRGGVQSPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4O3S/c9-4-2-11-8(17-4)13-6(15)3-1-10-7(16)12-5(3)14/h1-2H,(H,11,13,15)(H2,10,12,14,16).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 317.12 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 60654717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).