[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone

C17H11F2N3OS — CID 99715528

IUPAC[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESO=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCc2cnccc21
InChIInChI=1S/C17H11F2N3OS/c18-12-2-1-10(7-13(12)19)16-21-9-15(24-16)17(23)22-6-4-11-8-20-5-3-14(11)22/h1-3,5,7-9H,4,6H2
InChIKeyVDQRPRGOWLCHRI-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.69
Rot. Bonds2

About [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone

[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone (PubChem CID 99715528) has the molecular formula C17H11F2N3OS and a molecular weight of 343.36 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
PubChem CID99715528
Molecular FormulaC17H11F2N3OS
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESO=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCc2cnccc21
InChIInChI=1S/C17H11F2N3OS/c18-12-2-1-10(7-13(12)19)16-21-9-15(24-16)17(23)22-6-4-11-8-20-5-3-14(11)22/h1-3,5,7-9H,4,6H2
InChIKeyVDQRPRGOWLCHRI-UHFFFAOYSA-N
XLogP3.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The IUPAC name of [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone (CID 99715528) is [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone is O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCc2cnccc21.
What is the InChIKey of [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The InChIKey is VDQRPRGOWLCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3OS/c18-12-2-1-10(7-13(12)19)16-21-9-15(24-16)17(23)22-6-4-11-8-20-5-3-14(11)22/h1-3,5,7-9H,4,6H2.
What are the key properties of [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone has a molecular weight of 343.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone is sourced from PubChem (CID 99715528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).