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

C14H15FN2OS — CID 114713739

IUPAC7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2csc(C)n2)Oc2cc(F)ccc21
InChIInChI=1S/C14H15FN2OS/c1-8-17-12(7-19-8)14-6-11(16-2)10-4-3-9(15)5-13(10)18-14/h3-5,7,11,14,16H,6H2,1-2H3
InChIKeyIIRZTXPCSZXDTL-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.37
Rot. Bonds2

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

7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713739) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713739
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2csc(C)n2)Oc2cc(F)ccc21
InChIInChI=1S/C14H15FN2OS/c1-8-17-12(7-19-8)14-6-11(16-2)10-4-3-9(15)5-13(10)18-14/h3-5,7,11,14,16H,6H2,1-2H3
InChIKeyIIRZTXPCSZXDTL-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713884
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713701
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711040
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114713739) is 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2csc(C)n2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IIRZTXPCSZXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-17-12(7-19-8)14-6-11(16-2)10-4-3-9(15)5-13(10)18-14/h3-5,7,11,14,16H,6H2,1-2H3.
What are the key properties of 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 278.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).