N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C9H9BrN4O4S2 — CID 60783708

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ncc(Br)s2)c(=O)n(C)c1=O
InChIInChI=1S/C9H9BrN4O4S2/c1-13-4-5(7(15)14(2)9(13)16)20(17,18)12-8-11-3-6(10)19-8/h3-4H,1-2H3,(H,11,12)
InChIKeyXUYQJGFYTNXJOK-UHFFFAOYSA-N
MW381.23 g/mol
LogP0.10
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 60783708) has the molecular formula C9H9BrN4O4S2 and a molecular weight of 381.23 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID60783708
Molecular FormulaC9H9BrN4O4S2
Molecular Weight381.23 g/mol
Exact Mass379.92
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ncc(Br)s2)c(=O)n(C)c1=O
InChIInChI=1S/C9H9BrN4O4S2/c1-13-4-5(7(15)14(2)9(13)16)20(17,18)12-8-11-3-6(10)19-8/h3-4H,1-2H3,(H,11,12)
InChIKeyXUYQJGFYTNXJOK-UHFFFAOYSA-N
XLogP0.10
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475132
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 75398626
1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 43540611
N-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196326
5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 60785281
N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 60785604
N-(2-chloro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 103604457
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115916977
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 60783708) is N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)Nc2ncc(Br)s2)c(=O)n(C)c1=O.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is XUYQJGFYTNXJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O4S2/c1-13-4-5(7(15)14(2)9(13)16)20(17,18)12-8-11-3-6(10)19-8/h3-4H,1-2H3,(H,11,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 381.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 60783708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).