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

C18H13FN4O2S — CID 169164516

IUPAC[(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H13FN4O2S/c19-11-1-2-13-10(7-11)8-14(25-13)16-15-12(21-9-22-15)3-5-23(16)18(24)17-20-4-6-26-17/h1-2,4,6-9,16H,3,5H2,(H,21,22)/t16-/m1/s1
InChIKeySUZUSXHOAQICKM-MRXNPFEDSA-N
MW368.39 g/mol
LogP3.54
Rot. Bonds2

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

[(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 169164516) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID169164516
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name[(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H13FN4O2S/c19-11-1-2-13-10(7-11)8-14(25-13)16-15-12(21-9-22-15)3-5-23(16)18(24)17-20-4-6-26-17/h1-2,4,6-9,16H,3,5H2,(H,21,22)/t16-/m1/s1
InChIKeySUZUSXHOAQICKM-MRXNPFEDSA-N
XLogP3.54
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 177297459
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-chloro-1,3-thiazol-2-yl)methanone
CID 169164306
(4R)-4-(1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 174058699
[(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-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3,4-thiadiazol-2-yl)methanone
CID 177297672
[(4S)-4-(6-bromo-1H-benzimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167241
(5-chloro-1,3-thiazol-2-yl)-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169164287
[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 177297620
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297484
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169164383

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone (CID 169164516) is [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)N1CCc2[nH]cnc2[C@H]1c1cc2cc(F)ccc2o1.
What is the InChIKey of [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is SUZUSXHOAQICKM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-11-1-2-13-10(7-11)8-14(25-13)16-15-12(21-9-22-15)3-5-23(16)18(24)17-20-4-6-26-17/h1-2,4,6-9,16H,3,5H2,(H,21,22)/t16-/m1/s1.
What are the key properties of [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone?
[(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 368.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(5-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 169164516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).