N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C16H18N2O2S — CID 138026320

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCc1cnc(CCNC(=O)c2cccc3c2OCC3)s1
InChIInChI=1S/C16H18N2O2S/c1-2-12-10-18-14(21-12)6-8-17-16(19)13-5-3-4-11-7-9-20-15(11)13/h3-5,10H,2,6-9H2,1H3,(H,17,19)
InChIKeyBAIHKOJGGUBSOZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 138026320) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID138026320
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCc1cnc(CCNC(=O)c2cccc3c2OCC3)s1
InChIInChI=1S/C16H18N2O2S/c1-2-12-10-18-14(21-12)6-8-17-16(19)13-5-3-4-11-7-9-20-15(11)13/h3-5,10H,2,6-9H2,1H3,(H,17,19)
InChIKeyBAIHKOJGGUBSOZ-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026801
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71994022
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide
CID 138026322
4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 71994048
(1S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97227693
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56710034
2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 138026320) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CCc1cnc(CCNC(=O)c2cccc3c2OCC3)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is BAIHKOJGGUBSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-12-10-18-14(21-12)6-8-17-16(19)13-5-3-4-11-7-9-20-15(11)13/h3-5,10H,2,6-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 138026320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).