5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide

C11H13BrN2O3S2 — CID 136513753

IUPAC5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2nc(C)c(Br)s2)o1
InChIInChI=1S/C11H13BrN2O3S2/c1-7-4-5-9(17-7)6-14(3)19(15,16)11-13-8(2)10(12)18-11/h4-5H,6H2,1-3H3
InChIKeyQEYMLCJRBXRFCV-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.94
Rot. Bonds4

About 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide

5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide (PubChem CID 136513753) has the molecular formula C11H13BrN2O3S2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide
PubChem CID136513753
Molecular FormulaC11H13BrN2O3S2
Molecular Weight365.27 g/mol
Exact Mass363.96
IUPAC Name5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2nc(C)c(Br)s2)o1
InChIInChI=1S/C11H13BrN2O3S2/c1-7-4-5-9(17-7)6-14(3)19(15,16)11-13-8(2)10(12)18-11/h4-5H,6H2,1-3H3
InChIKeyQEYMLCJRBXRFCV-UHFFFAOYSA-N
XLogP2.94
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide (CID 136513753) is 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2nc(C)c(Br)s2)o1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide?
The InChIKey is QEYMLCJRBXRFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S2/c1-7-4-5-9(17-7)6-14(3)19(15,16)11-13-8(2)10(12)18-11/h4-5H,6H2,1-3H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide?
5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 365.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 136513753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).