N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide

C22H20N2O5S — CID 23144318

IUPACN-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCC(=O)CC3)s2)c1
InChIInChI=1S/C22H20N2O5S/c1-28-16-5-2-4-14(12-16)21(27)24-22-23-18(17-6-3-11-29-17)20(30-22)19(26)13-7-9-15(25)10-8-13/h2-6,11-13H,7-10H2,1H3,(H,23,24,27)
InChIKeyKERUBFDCYRWSEY-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.61
Rot. Bonds6

About N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide

N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide (PubChem CID 23144318) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
PubChem CID23144318
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC NameN-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCC(=O)CC3)s2)c1
InChIInChI=1S/C22H20N2O5S/c1-28-16-5-2-4-14(12-16)21(27)24-22-23-18(17-6-3-11-29-17)20(30-22)19(26)13-7-9-15(25)10-8-13/h2-6,11-13H,7-10H2,1H3,(H,23,24,27)
InChIKeyKERUBFDCYRWSEY-UHFFFAOYSA-N
XLogP4.61
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23144538
[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218339
5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 88590186
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 7916686
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
CID 87218284
tert-butyl N-[5-(cyclohexanecarbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 23144478
2-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3,4-dihydropyridine-5-carboxamide
CID 88573620
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 23144117
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 23144496
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 23144498
3-methoxy-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
CID 15178554
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 23144560

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide (CID 23144318) is N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCC(=O)CC3)s2)c1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The InChIKey is KERUBFDCYRWSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-28-16-5-2-4-14(12-16)21(27)24-22-23-18(17-6-3-11-29-17)20(30-22)19(26)13-7-9-15(25)10-8-13/h2-6,11-13H,7-10H2,1H3,(H,23,24,27).
What are the key properties of N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide has a molecular weight of 424.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 23144318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).