N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C20H17FN2OS2 — CID 55447668

IUPACN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C20H17FN2OS2/c1-12-17(26-20(22-12)13-6-3-2-4-7-13)19(24)23-16-10-11-25-18-14(16)8-5-9-15(18)21/h2-9,16H,10-11H2,1H3,(H,23,24)
InChIKeyJKJYWQKHEAJOEH-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.22
Rot. Bonds3

About N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55447668) has the molecular formula C20H17FN2OS2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55447668
Molecular FormulaC20H17FN2OS2
Molecular Weight384.50 g/mol
Exact Mass384.08
IUPAC NameN-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C20H17FN2OS2/c1-12-17(26-20(22-12)13-6-3-2-4-7-13)19(24)23-16-10-11-25-18-14(16)8-5-9-15(18)21/h2-9,16H,10-11H2,1H3,(H,23,24)
InChIKeyJKJYWQKHEAJOEH-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25402088
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2,7-dimethylquinoline-3-carboxamide
CID 97007043
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9193279
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-naphthalen-1-ylacetamide
CID 25401650
N'-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418597
4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 25393472

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 55447668) is N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NC1CCSc2c(F)cccc21.
What is the InChIKey of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JKJYWQKHEAJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS2/c1-12-17(26-20(22-12)13-6-3-2-4-7-13)19(24)23-16-10-11-25-18-14(16)8-5-9-15(18)21/h2-9,16H,10-11H2,1H3,(H,23,24).
What are the key properties of N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55447668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).