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

C15H18N2OS — CID 164633803

IUPAC1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(C)c(CNC[C@H]2COc3ccccc32)s1
InChIInChI=1S/C15H18N2OS/c1-10-15(19-11(2)17-10)8-16-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,12,16H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyGVYWUEPZFRZXQA-LBPRGKRZSA-N
MW274.39 g/mol
LogP3.03
Rot. Bonds4

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

1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 164633803) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID164633803
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(C)c(CNC[C@H]2COc3ccccc32)s1
InChIInChI=1S/C15H18N2OS/c1-10-15(19-11(2)17-10)8-16-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,12,16H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyGVYWUEPZFRZXQA-LBPRGKRZSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine (CID 164633803) is 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1nc(C)c(CNC[C@H]2COc3ccccc32)s1.
What is the InChIKey of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is GVYWUEPZFRZXQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-15(19-11(2)17-10)8-16-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,12,16H,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 164633803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).