6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C15H16FNS2 — CID 43230799

IUPAC6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc(CNC2CCSc3ccc(F)cc32)s1
InChIInChI=1S/C15H16FNS2/c1-10-2-4-12(19-10)9-17-14-6-7-18-15-5-3-11(16)8-13(14)15/h2-5,8,14,17H,6-7,9H2,1H3
InChIKeyVLCUYMJTYOIUBX-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.52
Rot. Bonds3

About 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43230799) has the molecular formula C15H16FNS2 and a molecular weight of 293.43 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43230799
Molecular FormulaC15H16FNS2
Molecular Weight293.43 g/mol
Exact Mass293.07
IUPAC Name6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1ccc(CNC2CCSc3ccc(F)cc32)s1
InChIInChI=1S/C15H16FNS2/c1-10-2-4-12(19-10)9-17-14-6-7-18-15-5-3-11(16)8-13(14)15/h2-5,8,14,17H,6-7,9H2,1H3
InChIKeyVLCUYMJTYOIUBX-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43230816
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103779098
6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230785
N-(3,3-dimethylbutyl)-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 62949456
5-[[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126589
N-[(3-chloro-4-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 81148308
6-fluoro-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61171009
(4S)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 124559424
(4R)-6-fluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 95380317
(4S)-6-fluoro-N-[(4-methylsulfanyloxan-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 97101836
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43230799) is 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Cc1ccc(CNC2CCSc3ccc(F)cc32)s1.
What is the InChIKey of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is VLCUYMJTYOIUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS2/c1-10-2-4-12(19-10)9-17-14-6-7-18-15-5-3-11(16)8-13(14)15/h2-5,8,14,17H,6-7,9H2,1H3.
What are the key properties of 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 293.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43230799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).