N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

C19H20N2O3S — CID 44916083

IUPACN-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1cccc2cc(-c3csc(NC(=O)C4CCCCC4)n3)oc12
InChIInChI=1S/C19H20N2O3S/c1-23-15-9-5-8-13-10-16(24-17(13)15)14-11-25-19(20-14)21-18(22)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,20,21,22)
InChIKeyOADWBRWUBZNAHX-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.08
Rot. Bonds4

About N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 44916083) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID44916083
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1cccc2cc(-c3csc(NC(=O)C4CCCCC4)n3)oc12
InChIInChI=1S/C19H20N2O3S/c1-23-15-9-5-8-13-10-16(24-17(13)15)14-11-25-19(20-14)21-18(22)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,20,21,22)
InChIKeyOADWBRWUBZNAHX-UHFFFAOYSA-N
XLogP5.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828473
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea
CID 30349488
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 40956673
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 30349569
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
4-(dipropylsulfamoyl)-N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 18570613
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 44916083) is N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is COc1cccc2cc(-c3csc(NC(=O)C4CCCCC4)n3)oc12.
What is the InChIKey of N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is OADWBRWUBZNAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-23-15-9-5-8-13-10-16(24-17(13)15)14-11-25-19(20-14)21-18(22)12-6-3-2-4-7-12/h5,8-12H,2-4,6-7H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 356.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 44916083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).