(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid

C10H8BrN3O4S2 — CID 146421754

IUPAC(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILESCc1cc(S(=O)(=O)N(C(=O)O)c2cscn2)ncc1Br
InChIInChI=1S/C10H8BrN3O4S2/c1-6-2-9(12-3-7(6)11)20(17,18)14(10(15)16)8-4-19-5-13-8/h2-5H,1H3,(H,15,16)
InChIKeyLHLSMWPYBLXPGL-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.48
Rot. Bonds3

About (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid

(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid (PubChem CID 146421754) has the molecular formula C10H8BrN3O4S2 and a molecular weight of 378.23 g/mol. Its IUPAC name is (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
PubChem CID146421754
Molecular FormulaC10H8BrN3O4S2
Molecular Weight378.23 g/mol
Exact Mass376.91
IUPAC Name(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILESCc1cc(S(=O)(=O)N(C(=O)O)c2cscn2)ncc1Br
InChIInChI=1S/C10H8BrN3O4S2/c1-6-2-9(12-3-7(6)11)20(17,18)14(10(15)16)8-4-19-5-13-8/h2-5H,1H3,(H,15,16)
InChIKeyLHLSMWPYBLXPGL-UHFFFAOYSA-N
XLogP2.48
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The IUPAC name of (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid (CID 146421754) is (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid.
What is the SMILES notation for (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The canonical SMILES for (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid is Cc1cc(S(=O)(=O)N(C(=O)O)c2cscn2)ncc1Br.
What is the InChIKey of (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The InChIKey is LHLSMWPYBLXPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O4S2/c1-6-2-9(12-3-7(6)11)20(17,18)14(10(15)16)8-4-19-5-13-8/h2-5H,1H3,(H,15,16).
What are the key properties of (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid has a molecular weight of 378.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid is sourced from PubChem (CID 146421754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).