N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

C18H16N2O3S — CID 102563097

IUPACN-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3Cc4cccc(O)c4C3)cs2)o1
InChIInChI=1S/C18H16N2O3S/c1-10-5-6-16(23-10)18-20-14(9-24-18)17(22)19-12-7-11-3-2-4-15(21)13(11)8-12/h2-6,9,12,21H,7-8H2,1H3,(H,19,22)
InChIKeySUYARAPKBBBCOD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.31
Rot. Bonds3

About N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 102563097) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID102563097
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3Cc4cccc(O)c4C3)cs2)o1
InChIInChI=1S/C18H16N2O3S/c1-10-5-6-16(23-10)18-20-14(9-24-18)17(22)19-12-7-11-3-2-4-15(21)13(11)8-12/h2-6,9,12,21H,7-8H2,1H3,(H,19,22)
InChIKeySUYARAPKBBBCOD-UHFFFAOYSA-N
XLogP3.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 102563097) is N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NC3Cc4cccc(O)c4C3)cs2)o1.
What is the InChIKey of N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SUYARAPKBBBCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-10-5-6-16(23-10)18-20-14(9-24-18)17(22)19-12-7-11-3-2-4-15(21)13(11)8-12/h2-6,9,12,21H,7-8H2,1H3,(H,19,22).
What are the key properties of N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102563097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).