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

C15H17FN2OS — CID 114713884

IUPACN-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2csc(C)n2)Oc2cc(F)ccc21
InChIInChI=1S/C15H17FN2OS/c1-3-17-12-7-15(13-8-20-9(2)18-13)19-14-6-10(16)4-5-11(12)14/h4-6,8,12,15,17H,3,7H2,1-2H3
InChIKeyQMVDOGKYIRKEBX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.77
Rot. Bonds3

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

N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713884) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713884
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2csc(C)n2)Oc2cc(F)ccc21
InChIInChI=1S/C15H17FN2OS/c1-3-17-12-7-15(13-8-20-9(2)18-13)19-14-6-10(16)4-5-11(12)14/h4-6,8,12,15,17H,3,7H2,1-2H3
InChIKeyQMVDOGKYIRKEBX-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713739
N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711040
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713937
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710640
7-fluoro-N-propyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713915
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114713884) is N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2csc(C)n2)Oc2cc(F)ccc21.
What is the InChIKey of N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QMVDOGKYIRKEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-3-17-12-7-15(13-8-20-9(2)18-13)19-14-6-10(16)4-5-11(12)14/h4-6,8,12,15,17H,3,7H2,1-2H3.
What are the key properties of N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 292.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).