N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

C17H22N2OS — CID 114365037

IUPACN-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2Cc3ccccc3O2)nc1C(C)C
InChIInChI=1S/C17H22N2OS/c1-4-18-10-15-16(11(2)3)19-17(21-15)14-9-12-7-5-6-8-13(12)20-14/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyPQHSZHPRLNOTPL-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.05
Rot. Bonds5

About N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114365037) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114365037
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2Cc3ccccc3O2)nc1C(C)C
InChIInChI=1S/C17H22N2OS/c1-4-18-10-15-16(11(2)3)19-17(21-15)14-9-12-7-5-6-8-13(12)20-14/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyPQHSZHPRLNOTPL-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841389
1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363489
1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841205
N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381940
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 65351880
N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114016605
N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364953
N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137024
N-[[2-(4-ethylmorpholin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365079
1-[2-(2,3-dihydro-1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364832
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434874
5-(2,3-dihydro-1-benzofuran-2-yl)-3-iodo-1,2,4-thiadiazole
CID 102943520

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114365037) is N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2Cc3ccccc3O2)nc1C(C)C.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is PQHSZHPRLNOTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-18-10-15-16(11(2)3)19-17(21-15)14-9-12-7-5-6-8-13(12)20-14/h5-8,11,14,18H,4,9-10H2,1-3H3.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 302.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114365037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).