N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide

C16H16N2O3S — CID 121123601

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc(-c3ccco3)nc2C)c(C)o1
InChIInChI=1S/C16H16N2O3S/c1-9-7-12(11(3)21-9)15(19)17-8-14-10(2)18-16(22-14)13-5-4-6-20-13/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyMQWHMBIYZASUTI-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.85
Rot. Bonds4

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

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 121123601) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID121123601
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc(-c3ccco3)nc2C)c(C)o1
InChIInChI=1S/C16H16N2O3S/c1-9-7-12(11(3)21-9)15(19)17-8-14-10(2)18-16(22-14)13-5-4-6-20-13/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyMQWHMBIYZASUTI-UHFFFAOYSA-N
XLogP3.85
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1H-indole-3-carboxamide
CID 121123680
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 121123610
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-nitrobenzamide
CID 121123486
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
CID 121123691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 121123542
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121123734

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 121123601) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCc2sc(-c3ccco3)nc2C)c(C)o1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MQWHMBIYZASUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-9-7-12(11(3)21-9)15(19)17-8-14-10(2)18-16(22-14)13-5-4-6-20-13/h4-7H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 121123601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).