N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide

C18H18N2O3S — CID 111482579

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC(C)(O)c3ccco3)c2)cs1
InChIInChI=1S/C18H18N2O3S/c1-12-20-15(10-24-12)13-5-3-6-14(9-13)17(21)19-11-18(2,22)16-7-4-8-23-16/h3-10,22H,11H2,1-2H3,(H,19,21)
InChIKeySJYBAGTUWJLRDA-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 111482579) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID111482579
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC(C)(O)c3ccco3)c2)cs1
InChIInChI=1S/C18H18N2O3S/c1-12-20-15(10-24-12)13-5-3-6-14(9-13)17(21)19-11-18(2,22)16-7-4-8-23-16/h3-10,22H,11H2,1-2H3,(H,19,21)
InChIKeySJYBAGTUWJLRDA-UHFFFAOYSA-N
XLogP3.35
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111479543
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 111482189
3-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 111482092
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 75472233
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 111482579) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2cccc(C(=O)NCC(C)(O)c3ccco3)c2)cs1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is SJYBAGTUWJLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-20-15(10-24-12)13-5-3-6-14(9-13)17(21)19-11-18(2,22)16-7-4-8-23-16/h3-10,22H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 111482579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).