1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C20H23F2N7O2S — CID 122180519

IUPAC1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCOc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CC(F)F)cn4)sc3C2)c1
InChIInChI=1S/C20H23F2N7O2S/c1-31-15-6-14(7-23-8-15)29-5-3-16-17(10-29)32-20(26-16)27-19(30)24-4-2-13-9-28(12-25-13)11-18(21)22/h6-9,12,18H,2-5,10-11H2,1H3,(H2,24,26,27,30)
InChIKeyHWJKIOZTBRGENR-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.94
Rot. Bonds8

About 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 122180519) has the molecular formula C20H23F2N7O2S and a molecular weight of 463.51 g/mol. Its IUPAC name is 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
PubChem CID122180519
Molecular FormulaC20H23F2N7O2S
Molecular Weight463.51 g/mol
Exact Mass463.16
IUPAC Name1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCOc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CC(F)F)cn4)sc3C2)c1
InChIInChI=1S/C20H23F2N7O2S/c1-31-15-6-14(7-23-8-15)29-5-3-16-17(10-29)32-20(26-16)27-19(30)24-4-2-13-9-28(12-25-13)11-18(21)22/h6-9,12,18H,2-5,10-11H2,1H3,(H2,24,26,27,30)
InChIKeyHWJKIOZTBRGENR-UHFFFAOYSA-N
XLogP2.94
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The IUPAC name of 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 122180519) is 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.
What is the SMILES notation for 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The canonical SMILES for 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CC(F)F)cn4)sc3C2)c1.
What is the InChIKey of 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The InChIKey is HWJKIOZTBRGENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O2S/c1-31-15-6-14(7-23-8-15)29-5-3-16-17(10-29)32-20(26-16)27-19(30)24-4-2-13-9-28(12-25-13)11-18(21)22/h6-9,12,18H,2-5,10-11H2,1H3,(H2,24,26,27,30).
What are the key properties of 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 463.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 122180519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).