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

C17H16N2O3S — CID 2192756

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1C
InChIInChI=1S/C17H16N2O3S/c1-11-3-4-13(9-12(11)2)21-10-14-5-6-15(22-14)16(20)19-17-18-7-8-23-17/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeySQQOQUDBJWIKRL-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.18
Rot. Bonds5

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

5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2192756) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2192756
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1C
InChIInChI=1S/C17H16N2O3S/c1-11-3-4-13(9-12(11)2)21-10-14-5-6-15(22-14)16(20)19-17-18-7-8-23-17/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeySQQOQUDBJWIKRL-UHFFFAOYSA-N
XLogP4.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide
CID 903491
5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2440876
5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2967498
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
5-[(4-chlorophenoxy)methyl]-N-1,3-thiazol-2-yl-2-furamide
CID 717217
5-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 726956
5-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1084411
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1249045
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2536951
5-{[(4-methylphenyl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2990742
5-methoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2679217
4-Ethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 803176

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 2192756) is 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is SQQOQUDBJWIKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-3-4-13(9-12(11)2)21-10-14-5-6-15(22-14)16(20)19-17-18-7-8-23-17/h3-9H,10H2,1-2H3,(H,18,19,20).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2192756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).