5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide

C12H13BrN2O2S — CID 2380414

IUPAC5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C12H13BrN2O2S/c1-12(2,3)8-6-18-11(14-8)15-10(16)7-4-5-9(13)17-7/h4-6H,1-3H3,(H,14,15,16)
InChIKeyIPNCFWPSMJZXFO-UHFFFAOYSA-N
MW329.22 g/mol
LogP4.05
Rot. Bonds2

About 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2380414) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2380414
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C12H13BrN2O2S/c1-12(2,3)8-6-18-11(14-8)15-10(16)7-4-5-9(13)17-7/h4-6H,1-3H3,(H,14,15,16)
InChIKeyIPNCFWPSMJZXFO-UHFFFAOYSA-N
XLogP4.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 17454491
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80618012
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369370
5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407284
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 99810259
5-bromo-N-[4-[2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 99810261

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 2380414) is 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is IPNCFWPSMJZXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-12(2,3)8-6-18-11(14-8)15-10(16)7-4-5-9(13)17-7/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 329.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2380414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).