(1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

C20H22N2OS2 — CID 92563944

IUPAC(1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
SMILESCc1csc([C@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@H](C)O3)n1
InChIInChI=1S/C20H22N2OS2/c1-13-11-25-20(22-13)18(9-16-5-6-24-12-16)21-10-15-3-4-19-17(8-15)7-14(2)23-19/h3-6,8,11-12,14,18,21H,7,9-10H2,1-2H3/t14-,18-/m0/s1
InChIKeyCYHJYUDJHSLAKL-KSSFIOAISA-N
MW370.54 g/mol
LogP4.91
Rot. Bonds6

About (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

(1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine (PubChem CID 92563944) has the molecular formula C20H22N2OS2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
PubChem CID92563944
Molecular FormulaC20H22N2OS2
Molecular Weight370.54 g/mol
Exact Mass370.12
IUPAC Name(1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
SMILESCc1csc([C@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@H](C)O3)n1
InChIInChI=1S/C20H22N2OS2/c1-13-11-25-20(22-13)18(9-16-5-6-24-12-16)21-10-15-3-4-19-17(8-15)7-14(2)23-19/h3-6,8,11-12,14,18,21H,7,9-10H2,1-2H3/t14-,18-/m0/s1
InChIKeyCYHJYUDJHSLAKL-KSSFIOAISA-N
XLogP4.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine with MolForge

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Related Compounds

(1R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92593566
N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 110221908
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563830
(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide
CID 92563868
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 104868177
(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563841
3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
CID 110221950
1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 103109579
(1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563822
(1S,2R,4R)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98072272

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine (CID 92563944) is (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine is Cc1csc([C@H](Cc2ccsc2)NCc2ccc3c(c2)C[C@H](C)O3)n1.
What is the InChIKey of (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
The InChIKey is CYHJYUDJHSLAKL-KSSFIOAISA-N. The full InChI is InChI=1S/C20H22N2OS2/c1-13-11-25-20(22-13)18(9-16-5-6-24-12-16)21-10-15-3-4-19-17(8-15)7-14(2)23-19/h3-6,8,11-12,14,18,21H,7,9-10H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine?
(1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine has a molecular weight of 370.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 92563944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).