2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide

C18H22N2O3S — CID 154796881

IUPAC2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC2(CCOCC2)CC1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C18H22N2O3S/c21-16(15-12-19-17(24-15)14-2-1-9-23-14)20-13-3-5-18(6-4-13)7-10-22-11-8-18/h1-2,9,12-13H,3-8,10-11H2,(H,20,21)
InChIKeyTZDQNGWQJPUMQW-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.87
Rot. Bonds3

About 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide (PubChem CID 154796881) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide
PubChem CID154796881
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC2(CCOCC2)CC1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C18H22N2O3S/c21-16(15-12-19-17(24-15)14-2-1-9-23-14)20-13-3-5-18(6-4-13)7-10-22-11-8-18/h1-2,9,12-13H,3-8,10-11H2,(H,20,21)
InChIKeyTZDQNGWQJPUMQW-UHFFFAOYSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 86967943
N-[2-(aminomethyl)cyclopentyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 119602827
2-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120577393
2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187621
2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 126787696
N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 86971621
2-(furan-2-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119446974
2-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 126782368
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119623467
2-(furan-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120643848
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650303
(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695780

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide (CID 154796881) is 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide is O=C(NC1CCC2(CCOCC2)CC1)c1cnc(-c2ccco2)s1.
What is the InChIKey of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is TZDQNGWQJPUMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-16(15-12-19-17(24-15)14-2-1-9-23-14)20-13-3-5-18(6-4-13)7-10-22-11-8-18/h1-2,9,12-13H,3-8,10-11H2,(H,20,21).
What are the key properties of 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154796881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).