2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide

C15H15FN2OS — CID 48580037

IUPAC2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCc3cc(F)ccc32)s1
InChIInChI=1S/C15H15FN2OS/c1-2-14-17-8-13(20-14)15(19)18-12-6-3-9-7-10(16)4-5-11(9)12/h4-5,7-8,12H,2-3,6H2,1H3,(H,18,19)
InChIKeyYXFFQLOPZXBWBT-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.26
Rot. Bonds3

About 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide

2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 48580037) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID48580037
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCc3cc(F)ccc32)s1
InChIInChI=1S/C15H15FN2OS/c1-2-14-17-8-13(20-14)15(19)18-12-6-3-9-7-10(16)4-5-11(9)12/h4-5,7-8,12H,2-3,6H2,1H3,(H,18,19)
InChIKeyYXFFQLOPZXBWBT-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 146047494
N-[3-(3-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164609398
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164622279
N-(2,3-dihydro-1H-inden-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 24024581
2-tert-butyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 47880802
2-ethyl-N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 53537563
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 53537768
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 53537971
2-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-5-carboxamide
CID 53553530
N-ethyl-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53557177
methyl (2S)-2-[[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]amino]propanoate
CID 53567367

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide (CID 48580037) is 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC2CCc3cc(F)ccc32)s1.
What is the InChIKey of 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YXFFQLOPZXBWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-2-14-17-8-13(20-14)15(19)18-12-6-3-9-7-10(16)4-5-11(9)12/h4-5,7-8,12H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48580037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).