N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C17H19FN4OS — CID 60577608

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCc2cc(F)ccc21)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19FN4OS/c18-13-2-3-14-12(11-13)1-4-15(14)20-16(23)21-6-8-22(9-7-21)17-19-5-10-24-17/h2-3,5,10-11,15H,1,4,6-9H2,(H,20,23)
InChIKeyJOYGZBNHPUASIJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.80
Rot. Bonds2

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 60577608) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID60577608
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCc2cc(F)ccc21)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19FN4OS/c18-13-2-3-14-12(11-13)1-4-15(14)20-16(23)21-6-8-22(9-7-21)17-19-5-10-24-17/h2-3,5,10-11,15H,1,4,6-9H2,(H,20,23)
InChIKeyJOYGZBNHPUASIJ-UHFFFAOYSA-N
XLogP2.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51957654
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-phenylpiperazine-1-carboxamide
CID 60577741
N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94030514
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48510020
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94031670
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60547964
5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113260866
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
4-(1,3-thiazol-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-1,4-diazepane-1-carboxamide
CID 48509988
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 86838340
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 60577608) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NC1CCc2cc(F)ccc21)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is JOYGZBNHPUASIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-13-2-3-14-12(11-13)1-4-15(14)20-16(23)21-6-8-22(9-7-21)17-19-5-10-24-17/h2-3,5,10-11,15H,1,4,6-9H2,(H,20,23).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 60577608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).