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

C13H15FN4S — CID 115682215

IUPAC6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCn1nncc1CNC1CCSc2ccc(F)cc21
InChIInChI=1S/C13H15FN4S/c1-18-10(8-16-17-18)7-15-12-4-5-19-13-3-2-9(14)6-11(12)13/h2-3,6,8,12,15H,4-5,7H2,1H3
InChIKeySNBZRBANWYHGKI-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.28
Rot. Bonds3

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

6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 115682215) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID115682215
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCn1nncc1CNC1CCSc2ccc(F)cc21
InChIInChI=1S/C13H15FN4S/c1-18-10(8-16-17-18)7-15-12-4-5-19-13-3-2-9(14)6-11(12)13/h2-3,6,8,12,15H,4-5,7H2,1H3
InChIKeySNBZRBANWYHGKI-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-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

5-methyl-5H-triazolo[1,5-c][1,3]benzothiazine
CID 166448175
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
CID 43534720
6-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43685580
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,3,5-trimethylpyrazol-4-amine
CID 43768878
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
CID 43776685
1-ethyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-4-amine
CID 43777018
8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43791855
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43792502
8-fluoro-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61459914
6-fluoro-N-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 62756676
6-fluoro-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62763413
8-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 62846621

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 115682215) is 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Cn1nncc1CNC1CCSc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is SNBZRBANWYHGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c1-18-10(8-16-17-18)7-15-12-4-5-19-13-3-2-9(14)6-11(12)13/h2-3,6,8,12,15H,4-5,7H2,1H3.
What are the key properties of 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 278.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 115682215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).