2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole

C16H18FN5S — CID 97094603

IUPAC2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESC[C@@H]1CN(Cc2nc3c(F)cccc3[nH]2)CCN1c1nccs1
InChIInChI=1S/C16H18FN5S/c1-11-9-21(6-7-22(11)16-18-5-8-23-16)10-14-19-13-4-2-3-12(17)15(13)20-14/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySINLYLIIUUOVKT-LLVKDONJSA-N
MW331.42 g/mol
LogP2.87
Rot. Bonds3

About 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole

2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (PubChem CID 97094603) has the molecular formula C16H18FN5S and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
PubChem CID97094603
Molecular FormulaC16H18FN5S
Molecular Weight331.42 g/mol
Exact Mass331.13
IUPAC Name2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESC[C@@H]1CN(Cc2nc3c(F)cccc3[nH]2)CCN1c1nccs1
InChIInChI=1S/C16H18FN5S/c1-11-9-21(6-7-22(11)16-18-5-8-23-16)10-14-19-13-4-2-3-12(17)15(13)20-14/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySINLYLIIUUOVKT-LLVKDONJSA-N
XLogP2.87
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole with MolForge

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Related Compounds

1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol
CID 110931038
2-[[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]methyl]-4-fluoro-1H-benzimidazole
CID 166363510
2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 97199197
2-[(2S)-2-methyl-4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-1,3-thiazole
CID 97094600
2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 75369822
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 97199173
(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489846
3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide
CID 97186451
2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97186385
1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 75369876
7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781693
4-fluoro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83135923

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (CID 97094603) is 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is C[C@@H]1CN(Cc2nc3c(F)cccc3[nH]2)CCN1c1nccs1.
What is the InChIKey of 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is SINLYLIIUUOVKT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN5S/c1-11-9-21(6-7-22(11)16-18-5-8-23-16)10-14-19-13-4-2-3-12(17)15(13)20-14/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 331.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 97094603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).