(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C18H20FN5OS — CID 95873407

IUPAC(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1nc(N)sc1C(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H20FN5OS/c1-2-11-15(26-18(20)23-11)17(25)24-8-4-3-5-14(24)16-21-12-7-6-10(19)9-13(12)22-16/h6-7,9,14H,2-5,8H2,1H3,(H2,20,23)(H,21,22)/t14-/m0/s1
InChIKeyDSYBGZHRWSIBBF-AWEZNQCLSA-N
MW373.46 g/mol
LogP3.67
Rot. Bonds3

About (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95873407) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID95873407
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1nc(N)sc1C(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H20FN5OS/c1-2-11-15(26-18(20)23-11)17(25)24-8-4-3-5-14(24)16-21-12-7-6-10(19)9-13(12)22-16/h6-7,9,14H,2-5,8H2,1H3,(H2,20,23)(H,21,22)/t14-/m0/s1
InChIKeyDSYBGZHRWSIBBF-AWEZNQCLSA-N
XLogP3.67
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-ethyl-1,3-thiazol-5-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70738485
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70737169
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 99931811
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 70780184
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 95896268
[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95896300
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95891966
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95874157

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 95873407) is (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is CCc1nc(N)sc1C(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is DSYBGZHRWSIBBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-2-11-15(26-18(20)23-11)17(25)24-8-4-3-5-14(24)16-21-12-7-6-10(19)9-13(12)22-16/h6-7,9,14H,2-5,8H2,1H3,(H2,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95873407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).