N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C16H14N2O2S — CID 43836729

IUPACN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1Cc1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-11-14(10-12-6-3-2-4-7-12)21-16(17-11)18-15(19)13-8-5-9-20-13/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyIAJZLIJLYVPAAZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 43836729) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID43836729
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1Cc1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-11-14(10-12-6-3-2-4-7-12)21-16(17-11)18-15(19)13-8-5-9-20-13/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyIAJZLIJLYVPAAZ-UHFFFAOYSA-N
XLogP3.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836603
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 43837040
methyl 5-benzyl-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71709164
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 43836729) is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1nc(NC(=O)c2ccco2)sc1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is IAJZLIJLYVPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-14(10-12-6-3-2-4-7-12)21-16(17-11)18-15(19)13-8-5-9-20-13/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 43836729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).