N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole

C24H19F4N3OS2 — CID 145268025

IUPACN-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2nccs2)c1.Fc1cccc(NSc2ccc3c(c2)OCCC3)n1
InChIInChI=1S/C14H13FN2OS.C10H6F3NS/c15-13-4-1-5-14(16-13)17-19-11-7-6-10-3-2-8-18-12(10)9-11;11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1,4-7,9H,2-3,8H2,(H,16,17);1-6H
InChIKeyGGPLPYYBRLLPNQ-UHFFFAOYSA-N
MW505.56 g/mol
LogP7.49
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole

N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 145268025) has the molecular formula C24H19F4N3OS2 and a molecular weight of 505.56 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID145268025
Molecular FormulaC24H19F4N3OS2
Molecular Weight505.56 g/mol
Exact Mass505.09
IUPAC NameN-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-c2nccs2)c1.Fc1cccc(NSc2ccc3c(c2)OCCC3)n1
InChIInChI=1S/C14H13FN2OS.C10H6F3NS/c15-13-4-1-5-14(16-13)17-19-11-7-6-10-3-2-8-18-12(10)9-11;11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1,4-7,9H,2-3,8H2,(H,16,17);1-6H
InChIKeyGGPLPYYBRLLPNQ-UHFFFAOYSA-N
XLogP7.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-5-fluoropyrimidin-2-amine;3-fluoro-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 145268138
N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-5-methylpyridin-2-amine;1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole
CID 145268068
N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)pyrimidin-4-amine;1-(2-fluoroethyl)-3-(trifluoromethyl)benzene
CID 145268053
6-fluoro-N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]pyridin-2-amine
CID 126668531
1-methyl-3-(trifluoromethyl)benzene;N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfinamide
CID 145268021
N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
CID 140883564
6-methyl-N-[[4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]pyridin-2-amine
CID 145268017
1-(3,4-dihydro-2H-chromen-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 78323206
3-(1,3-thiazol-2-yl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 154173870
4-[2-[(4R)-7-[(5-fluoropyrimidin-2-yl)amino]sulfanyl-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)phenyl]benzoic acid
CID 145268058
N-[[(4R)-4-[2-(6-propan-2-yloxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]pyrimidin-2-amine
CID 163820023
5-fluoro-N-[[4-[2-(triazol-1-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]pyrimidin-2-amine
CID 126668965

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole (CID 145268025) is N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1cccc(-c2nccs2)c1.Fc1cccc(NSc2ccc3c(c2)OCCC3)n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is GGPLPYYBRLLPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS.C10H6F3NS/c15-13-4-1-5-14(16-13)17-19-11-7-6-10-3-2-8-18-12(10)9-11;11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1,4-7,9H,2-3,8H2,(H,16,17);1-6H.
What are the key properties of N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole?
N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 505.56 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 145268025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).