N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide

C18H18N2O3S — CID 50948822

IUPACN-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)N(CCO)Cc3nccs3)c2)o1
InChIInChI=1S/C18H18N2O3S/c1-13-5-6-16(23-13)14-3-2-4-15(11-14)18(22)20(8-9-21)12-17-19-7-10-24-17/h2-7,10-11,21H,8-9,12H2,1H3
InChIKeyRVRSWWSGMWWHQV-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.35
Rot. Bonds6

About N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide

N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 50948822) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID50948822
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)N(CCO)Cc3nccs3)c2)o1
InChIInChI=1S/C18H18N2O3S/c1-13-5-6-16(23-13)14-3-2-4-15(11-14)18(22)20(8-9-21)12-17-19-7-10-24-17/h2-7,10-11,21H,8-9,12H2,1H3
InChIKeyRVRSWWSGMWWHQV-UHFFFAOYSA-N
XLogP3.35
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide
CID 77085780
2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol
CID 135114004
3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 118776395
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77089569
2,2-dimethyl-1-[3-(5-methylfuran-2-yl)phenyl]propan-1-one
CID 121354882
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-(2-hydroxyethyl)-8-methyl-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 28979648
3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol
CID 170887659
6-fluoro-N-(2-hydroxyethyl)-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 74237743
2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 74245531
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 50948822) is N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide is Cc1ccc(-c2cccc(C(=O)N(CCO)Cc3nccs3)c2)o1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is RVRSWWSGMWWHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-5-6-16(23-13)14-3-2-4-15(11-14)18(22)20(8-9-21)12-17-19-7-10-24-17/h2-7,10-11,21H,8-9,12H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 50948822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).