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

C18H21FN4OS — CID 86838340

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(N2CCN(C(=O)NC3CCc4c(F)cccc43)CC2)n1
InChIInChI=1S/C18H21FN4OS/c1-12-11-25-18(20-12)23-9-7-22(8-10-23)17(24)21-16-6-5-13-14(16)3-2-4-15(13)19/h2-4,11,16H,5-10H2,1H3,(H,21,24)
InChIKeyVZNRBKAGBHHMKY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.11
Rot. Bonds2

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

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 86838340) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID86838340
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(N2CCN(C(=O)NC3CCc4c(F)cccc43)CC2)n1
InChIInChI=1S/C18H21FN4OS/c1-12-11-25-18(20-12)23-9-7-22(8-10-23)17(24)21-16-6-5-13-14(16)3-2-4-15(13)19/h2-4,11,16H,5-10H2,1H3,(H,21,24)
InChIKeyVZNRBKAGBHHMKY-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 86838340) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1csc(N2CCN(C(=O)NC3CCc4c(F)cccc43)CC2)n1.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is VZNRBKAGBHHMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-12-11-25-18(20-12)23-9-7-22(8-10-23)17(24)21-16-6-5-13-14(16)3-2-4-15(13)19/h2-4,11,16H,5-10H2,1H3,(H,21,24).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 86838340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).