N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C18H15FN2OS3 — CID 25402088

IUPACN-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N[C@H]1CCSc2c(F)cccc21
InChIInChI=1S/C18H15FN2OS3/c1-10-15(25-18(20-10)11-5-7-23-9-11)17(22)21-14-6-8-24-16-12(14)3-2-4-13(16)19/h2-5,7,9,14H,6,8H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyZIVCTSPHDFECSE-AWEZNQCLSA-N
MW390.53 g/mol
LogP5.29
Rot. Bonds3

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

N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 25402088) has the molecular formula C18H15FN2OS3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID25402088
Molecular FormulaC18H15FN2OS3
Molecular Weight390.53 g/mol
Exact Mass390.03
IUPAC NameN-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N[C@H]1CCSc2c(F)cccc21
InChIInChI=1S/C18H15FN2OS3/c1-10-15(25-18(20-10)11-5-7-23-9-11)17(22)21-14-6-8-24-16-12(14)3-2-4-13(16)19/h2-5,7,9,14H,6,8H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyZIVCTSPHDFECSE-AWEZNQCLSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide 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

N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55447668
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
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2,7-dimethylquinoline-3-carboxamide
CID 97007043
8-fluoro-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66352531
N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103774105
1-tert-butyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 71893582
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17455034
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 25402088) is N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)N[C@H]1CCSc2c(F)cccc21.
What is the InChIKey of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZIVCTSPHDFECSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15FN2OS3/c1-10-15(25-18(20-10)11-5-7-23-9-11)17(22)21-14-6-8-24-16-12(14)3-2-4-13(16)19/h2-5,7,9,14H,6,8H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25402088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).