[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C16H16FN5OS — CID 95888888

IUPAC[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cs1
InChIInChI=1S/C16H16FN5OS/c1-18-16-21-12(8-24-16)15(23)22-6-2-3-13(22)14-19-10-5-4-9(17)7-11(10)20-14/h4-5,7-8,13H,2-3,6H2,1H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyQRSUTOQTVTXERT-CYBMUJFWSA-N
MW345.40 g/mol
LogP3.18
Rot. Bonds3

About [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 95888888) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID95888888
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cs1
InChIInChI=1S/C16H16FN5OS/c1-18-16-21-12(8-24-16)15(23)22-6-2-3-13(22)14-19-10-5-4-9(17)7-11(10)20-14/h4-5,7-8,13H,2-3,6H2,1H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyQRSUTOQTVTXERT-CYBMUJFWSA-N
XLogP3.18
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94166760
N-[4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 110219149
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 125159765
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone
CID 146024697
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
ethyl N-[4-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 146024739
6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146024712
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70776944
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95874157
2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dimethylchromen-4-one
CID 146024731
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 95888888) is [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cs1.
What is the InChIKey of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is QRSUTOQTVTXERT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-18-16-21-12(8-24-16)15(23)22-6-2-3-13(22)14-19-10-5-4-9(17)7-11(10)20-14/h4-5,7-8,13H,2-3,6H2,1H3,(H,18,21)(H,19,20)/t13-/m1/s1.
What are the key properties of [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 95888888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).