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

C22H15FN6O2S — CID 169167026

IUPAC[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1ocnc1-c1ccccn1)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1
InChIInChI=1S/C22H15FN6O2S/c23-12-4-3-6-15-16(12)28-21(32-15)19-17-14(25-10-26-17)7-9-29(19)22(30)20-18(27-11-31-20)13-5-1-2-8-24-13/h1-6,8,10-11,19H,7,9H2,(H,25,26)/t19-/m0/s1
InChIKeyRDTHUDXZGJUIRT-IBGZPJMESA-N
MW446.47 g/mol
LogP4.00
Rot. Bonds3

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

[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 169167026) has the molecular formula C22H15FN6O2S and a molecular weight of 446.47 g/mol. Its IUPAC name is [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID169167026
Molecular FormulaC22H15FN6O2S
Molecular Weight446.47 g/mol
Exact Mass446.10
IUPAC Name[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESO=C(c1ocnc1-c1ccccn1)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1
InChIInChI=1S/C22H15FN6O2S/c23-12-4-3-6-15-16(12)28-21(32-15)19-17-14(25-10-26-17)7-9-29(19)22(30)20-18(27-11-31-20)13-5-1-2-8-24-13/h1-6,8,10-11,19H,7,9H2,(H,25,26)/t19-/m0/s1
InChIKeyRDTHUDXZGJUIRT-IBGZPJMESA-N
XLogP4.00
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[(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
(5-chloro-1-cyclopropylpyrazol-4-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169167301
(E)-3-amino-1-[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)prop-2-en-1-one
CID 169167277
[(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]-(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-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]-[2-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169167537
[(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-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169164514
[(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-(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
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]methanone
CID 169167473

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone (CID 169167026) is [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone is O=C(c1ocnc1-c1ccccn1)N1CCc2[nH]cnc2[C@H]1c1nc2c(F)cccc2s1.
What is the InChIKey of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is RDTHUDXZGJUIRT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H15FN6O2S/c23-12-4-3-6-15-16(12)28-21(32-15)19-17-14(25-10-26-17)7-9-29(19)22(30)20-18(27-11-31-20)13-5-1-2-8-24-13/h1-6,8,10-11,19H,7,9H2,(H,25,26)/t19-/m0/s1.
What are the key properties of [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 446.47 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 169167026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).