N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C16H20N2O2S — CID 114711040

IUPACN-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2csc(C)n2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H20N2O2S/c1-4-17-13-8-16(14-9-21-10(2)18-14)20-15-7-11(19-3)5-6-12(13)15/h5-7,9,13,16-17H,4,8H2,1-3H3
InChIKeyRFBYYXONLWHSLW-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.63
Rot. Bonds4

About N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711040) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711040
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2csc(C)n2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H20N2O2S/c1-4-17-13-8-16(14-9-21-10(2)18-14)20-15-7-11(19-3)5-6-12(13)15/h5-7,9,13,16-17H,4,8H2,1-3H3
InChIKeyRFBYYXONLWHSLW-UHFFFAOYSA-N
XLogP3.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713884
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968
7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713739
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710902
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
(4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104944677
2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
CID 114710996
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114711040) is N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2csc(C)n2)Oc2cc(OC)ccc21.
What is the InChIKey of N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RFBYYXONLWHSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-17-13-8-16(14-9-21-10(2)18-14)20-15-7-11(19-3)5-6-12(13)15/h5-7,9,13,16-17H,4,8H2,1-3H3.
What are the key properties of N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 304.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).