4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide

C17H15BrN2O2S2 — CID 55921210

IUPAC4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)c3c(C)oc(C)c3Br)cc2)n1
InChIInChI=1S/C17H15BrN2O2S2/c1-9-8-23-17(19-9)24-13-6-4-12(5-7-13)20-16(21)14-10(2)22-11(3)15(14)18/h4-8H,1-3H3,(H,20,21)
InChIKeyLIPNKNZJLPBSQM-UHFFFAOYSA-N
MW423.36 g/mol
LogP5.83
Rot. Bonds4

About 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide

4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide (PubChem CID 55921210) has the molecular formula C17H15BrN2O2S2 and a molecular weight of 423.36 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide
PubChem CID55921210
Molecular FormulaC17H15BrN2O2S2
Molecular Weight423.36 g/mol
Exact Mass421.98
IUPAC Name4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide
SMILESCc1csc(Sc2ccc(NC(=O)c3c(C)oc(C)c3Br)cc2)n1
InChIInChI=1S/C17H15BrN2O2S2/c1-9-8-23-17(19-9)24-13-6-4-12(5-7-13)20-16(21)14-10(2)22-11(3)15(14)18/h4-8H,1-3H3,(H,20,21)
InChIKeyLIPNKNZJLPBSQM-UHFFFAOYSA-N
XLogP5.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
CID 47255295
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55813133
3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide
CID 60546751
1-ethyl-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrole-3-carboxamide
CID 75416604
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 52732394
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-[(2R)-pentan-2-yl]urea
CID 51910590
4-bromo-2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)furan-3-carboxamide
CID 78866497
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55921211
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 75417416
1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
CID 55920183
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide (CID 55921210) is 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide is Cc1csc(Sc2ccc(NC(=O)c3c(C)oc(C)c3Br)cc2)n1.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide?
The InChIKey is LIPNKNZJLPBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S2/c1-9-8-23-17(19-9)24-13-6-4-12(5-7-13)20-16(21)14-10(2)22-11(3)15(14)18/h4-8H,1-3H3,(H,20,21).
What are the key properties of 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide?
4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide has a molecular weight of 423.36 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 55921210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).