[(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

C19H15FN4O2S — CID 177297459

IUPAC[(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
SMILESCc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2nccs2)oc2ccc(F)cc12
InChIInChI=1S/C19H15FN4O2S/c1-10-12-8-11(20)2-3-14(12)26-17(10)16-15-13(22-9-23-15)4-6-24(16)19(25)18-21-5-7-27-18/h2-3,5,7-9,16H,4,6H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyIZTSVCUEWRHNAG-INIZCTEOSA-N
MW382.42 g/mol
LogP3.85
Rot. Bonds2

About [(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

[(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 (PubChem CID 177297459) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID177297459
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name[(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
SMILESCc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2nccs2)oc2ccc(F)cc12
InChIInChI=1S/C19H15FN4O2S/c1-10-12-8-11(20)2-3-14(12)26-17(10)16-15-13(22-9-23-15)4-6-24(16)19(25)18-21-5-7-27-18/h2-3,5,7-9,16H,4,6H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyIZTSVCUEWRHNAG-INIZCTEOSA-N
XLogP3.85
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1c([C@@H]2c3nc[nH]c3CCN2C(=O)c2nccs2)oc2ccc(F)cc12.
What is the InChIKey of [(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?
The InChIKey is IZTSVCUEWRHNAG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-10-12-8-11(20)2-3-14(12)26-17(10)16-15-13(22-9-23-15)4-6-24(16)19(25)18-21-5-7-27-18/h2-3,5,7-9,16H,4,6H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 382.42 g/mol, XLogP of 3.85, 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-3-methyl-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 177297459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).