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

C10H10BrClN2O3S2 — CID 61047016

IUPACN-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C10H10BrClN2O3S2/c1-6-9(18-10(12)13-6)19(15,16)14(2)5-7-3-4-8(11)17-7/h3-4H,5H2,1-2H3
InChIKeyKUVWLDXCXHBANH-UHFFFAOYSA-N
MW385.69 g/mol
LogP3.28
Rot. Bonds4

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

N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 61047016) has the molecular formula C10H10BrClN2O3S2 and a molecular weight of 385.69 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID61047016
Molecular FormulaC10H10BrClN2O3S2
Molecular Weight385.69 g/mol
Exact Mass383.90
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C10H10BrClN2O3S2/c1-6-9(18-10(12)13-6)19(15,16)14(2)5-7-3-4-8(11)17-7/h3-4H,5H2,1-2H3
InChIKeyKUVWLDXCXHBANH-UHFFFAOYSA-N
XLogP3.28
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744536
2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61422760
2-chloro-N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 60744551
2-chloro-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744535
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
3-amino-N-[(5-bromofuran-2-yl)methyl]-5-chloro-N,4-dimethylbenzenesulfonamide
CID 61115068
5-bromo-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2-sulfonamide
CID 136513753
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
CID 43456249
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823204
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,5-trimethylbenzenesulfonamide
CID 61115072
2-chloro-N-cyclopropyl-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43456224
N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine
CID 86984289

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 61047016) is N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is KUVWLDXCXHBANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O3S2/c1-6-9(18-10(12)13-6)19(15,16)14(2)5-7-3-4-8(11)17-7/h3-4H,5H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 385.69 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).