(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine

C21H22N2O2S — CID 42474783

IUPAC(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@H](NCCc1nc(-c3ccccc3)cs1)C2
InChIInChI=1S/C21H22N2O2S/c1-24-19-9-5-8-16-12-17(13-25-21(16)19)22-11-10-20-23-18(14-26-20)15-6-3-2-4-7-15/h2-9,14,17,22H,10-13H2,1H3/t17-/m1/s1
InChIKeyLGTKYXLMGMMOAE-QGZVFWFLSA-N
MW366.49 g/mol
LogP3.95
Rot. Bonds6

About (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine

(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 42474783) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID42474783
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@H](NCCc1nc(-c3ccccc3)cs1)C2
InChIInChI=1S/C21H22N2O2S/c1-24-19-9-5-8-16-12-17(13-25-21(16)19)22-11-10-20-23-18(14-26-20)15-6-3-2-4-7-15/h2-9,14,17,22H,10-13H2,1H3/t17-/m1/s1
InChIKeyLGTKYXLMGMMOAE-QGZVFWFLSA-N
XLogP3.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine with MolForge

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Related Compounds

8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97139845
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
3-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 42241202
N-[2-(1,3-benzothiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 50964204
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
CID 82103393
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
N-[2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103497
2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
CID 2747349
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552

Frequently Asked Questions

What is the IUPAC name of (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine (CID 42474783) is (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OC[C@H](NCCc1nc(-c3ccccc3)cs1)C2.
What is the InChIKey of (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is LGTKYXLMGMMOAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-24-19-9-5-8-16-12-17(13-25-21(16)19)22-11-10-20-23-18(14-26-20)15-6-3-2-4-7-15/h2-9,14,17,22H,10-13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine?
(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 366.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 42474783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).