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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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 53615263
2-[[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 47808514
4-(4,5-Dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 71942022
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 39968584
2-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415391
2-chloro-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 43526333
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 43526334
2-chloro-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43526953
N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47096472
(E)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 47141133
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanamine
CID 48109809
4-[(4-Ethylsulfonylpiperazin-1-yl)methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 49609907

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).