[(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone

C17H12FN5O2S — CID 169167210

IUPAC[(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2s1
InChIInChI=1S/C17H12FN5O2S/c18-9-1-2-13-11(7-9)22-16(26-13)15-14-10(19-8-20-14)4-6-23(15)17(24)12-3-5-21-25-12/h1-3,5,7-8,15H,4,6H2,(H,19,20)/t15-/m0/s1
InChIKeyLTFHKNJDDSLFPO-HNNXBMFYSA-N
MW369.38 g/mol
LogP2.93
Rot. Bonds2

About [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone

[(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 169167210) has the molecular formula C17H12FN5O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID169167210
Molecular FormulaC17H12FN5O2S
Molecular Weight369.38 g/mol
Exact Mass369.07
IUPAC Name[(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2s1
InChIInChI=1S/C17H12FN5O2S/c18-9-1-2-13-11(7-9)22-16(26-13)15-14-10(19-8-20-14)4-6-23(15)17(24)12-3-5-21-25-12/h1-3,5,7-8,15H,4,6H2,(H,19,20)/t15-/m0/s1
InChIKeyLTFHKNJDDSLFPO-HNNXBMFYSA-N
XLogP2.93
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169167623
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167043
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 169167559
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 176763678
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanone
CID 169167637
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2,2-difluorocyclopropyl)methanone
CID 169167695
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-phenyl-1,3-thiazol-2-yl)methanone
CID 169167470
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-bromo-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169167434
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-cyclopropyl-1,3-thiazol-5-yl)methanone
CID 176763637
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methanone
CID 169167068
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 176763576
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
CID 169167288

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone (CID 169167210) is [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2s1.
What is the InChIKey of [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is LTFHKNJDDSLFPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H12FN5O2S/c18-9-1-2-13-11(7-9)22-16(26-13)15-14-10(19-8-20-14)4-6-23(15)17(24)12-3-5-21-25-12/h1-3,5,7-8,15H,4,6H2,(H,19,20)/t15-/m0/s1.
What are the key properties of [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone?
[(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 369.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(5-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 169167210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).