(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine

C12H11FN2OS — CID 104944167

IUPAC(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2cncs2)Oc2ccc(F)cc21
InChIInChI=1S/C12H11FN2OS/c13-7-1-2-10-8(3-7)9(14)4-11(16-10)12-5-15-6-17-12/h1-3,5-6,9,11H,4,14H2/t9-,11?/m0/s1
InChIKeyKQDFONCFJKGPSU-FTNKSUMCSA-N
MW250.30 g/mol
LogP2.81
Rot. Bonds1

About (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944167) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944167
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2cncs2)Oc2ccc(F)cc21
InChIInChI=1S/C12H11FN2OS/c13-7-1-2-10-8(3-7)9(14)4-11(16-10)12-5-15-6-17-12/h1-3,5-6,9,11H,4,14H2/t9-,11?/m0/s1
InChIKeyKQDFONCFJKGPSU-FTNKSUMCSA-N
XLogP2.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-bromo-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947196
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944336
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
(4R)-6-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950265
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944427
(4R)-2-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944502
(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 103571272
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104944167) is (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2cncs2)Oc2ccc(F)cc21.
What is the InChIKey of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KQDFONCFJKGPSU-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-7-1-2-10-8(3-7)9(14)4-11(16-10)12-5-15-6-17-12/h1-3,5-6,9,11H,4,14H2/t9-,11?/m0/s1.
What are the key properties of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 250.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).