(1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine

C17H20N2OS — CID 164632084

IUPAC(1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1nc(C)c(CCN[C@@H](C)c2cc3ccccc3o2)s1
InChIInChI=1S/C17H20N2OS/c1-11(16-10-14-6-4-5-7-15(14)20-16)18-9-8-17-12(2)19-13(3)21-17/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyIZIMUCANZMWUSR-NSHDSACASA-N
MW300.43 g/mol
LogP4.40
Rot. Bonds5

About (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine

(1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 164632084) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID164632084
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1nc(C)c(CCN[C@@H](C)c2cc3ccccc3o2)s1
InChIInChI=1S/C17H20N2OS/c1-11(16-10-14-6-4-5-7-15(14)20-16)18-9-8-17-12(2)19-13(3)21-17/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyIZIMUCANZMWUSR-NSHDSACASA-N
XLogP4.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 164632084) is (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1nc(C)c(CCN[C@@H](C)c2cc3ccccc3o2)s1.
What is the InChIKey of (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is IZIMUCANZMWUSR-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11(16-10-14-6-4-5-7-15(14)20-16)18-9-8-17-12(2)19-13(3)21-17/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
(1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 300.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzofuran-2-yl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 164632084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).