N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide

C15H12N2O4S — CID 88901599

IUPACN-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCOc1cc(-c2csc(NC(=O)c3ccoc3)n2)ccc1O
InChIInChI=1S/C15H12N2O4S/c1-20-13-6-9(2-3-12(13)18)11-8-22-15(16-11)17-14(19)10-4-5-21-7-10/h2-8,18H,1H3,(H,16,17,19)
InChIKeySHPDGVUNLATABM-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.37
Rot. Bonds4

About N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide

N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 88901599) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID88901599
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC NameN-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCOc1cc(-c2csc(NC(=O)c3ccoc3)n2)ccc1O
InChIInChI=1S/C15H12N2O4S/c1-20-13-6-9(2-3-12(13)18)11-8-22-15(16-11)17-14(19)10-4-5-21-7-10/h2-8,18H,1H3,(H,16,17,19)
InChIKeySHPDGVUNLATABM-UHFFFAOYSA-N
XLogP3.37
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 88901598
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxy-3-methoxybenzamide
CID 162121520
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17394900
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide (CID 88901599) is N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide is COc1cc(-c2csc(NC(=O)c3ccoc3)n2)ccc1O.
What is the InChIKey of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is SHPDGVUNLATABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-20-13-6-9(2-3-12(13)18)11-8-22-15(16-11)17-14(19)10-4-5-21-7-10/h2-8,18H,1H3,(H,16,17,19).
What are the key properties of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide?
N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 88901599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).