N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

C18H17N3O4S2 — CID 50832511

IUPACN-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-12-4-6-13(7-5-12)27(23,24)21-9-8-14-16(11-21)26-18(19-14)20-17(22)15-3-2-10-25-15/h2-7,10H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyTWDKCKRREXNHDI-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.04
Rot. Bonds4

About N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 50832511) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
PubChem CID50832511
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC NameN-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-12-4-6-13(7-5-12)27(23,24)21-9-8-14-16(11-21)26-18(19-14)20-17(22)15-3-2-10-25-15/h2-7,10H,8-9,11H2,1H3,(H,19,20,22)
InChIKeyTWDKCKRREXNHDI-UHFFFAOYSA-N
XLogP3.04
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 44474003
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2087166
N-[3-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 2573206
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2950423
1-(furan-2-ylcarbonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 6464166
Furan-2-carboxylic acid(5-ethoxymethyl-4-phenyl-thiazol-2-yl)-amide
CID 49864673
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 72087117
N-[5-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 72197883
N-{4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-furamide
CID 1236900
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 2138866
4-(N-(furan-2-ylmethyl)-N-methylsulfamoyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)benzamide
CID 16831208
N-[3-[(5-acetyl-4-phenyl-2-thiazolyl)amino]-3-oxopropyl]-2-furancarboxamide
CID 24687849

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 50832511) is N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is TWDKCKRREXNHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-12-4-6-13(7-5-12)27(23,24)21-9-8-14-16(11-21)26-18(19-14)20-17(22)15-3-2-10-25-15/h2-7,10H,8-9,11H2,1H3,(H,19,20,22).
What are the key properties of N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 50832511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).