2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile

C22H8N8O2S2 — CID 170275705

IUPAC2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccc(-c3nc4sc(-c5ccc(-c6ncc(C#N)cn6)o5)nc4s3)o2)nc1
InChIInChI=1S/C22H8N8O2S2/c23-5-11-7-25-17(26-8-11)13-1-3-15(31-13)19-29-21-22(33-19)30-20(34-21)16-4-2-14(32-16)18-27-9-12(6-24)10-28-18/h1-4,7-10H
InChIKeyNZMRBHPBKHTJFK-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.93
Rot. Bonds4

About 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile

2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile (PubChem CID 170275705) has the molecular formula C22H8N8O2S2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile
PubChem CID170275705
Molecular FormulaC22H8N8O2S2
Molecular Weight480.49 g/mol
Exact Mass480.02
IUPAC Name2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccc(-c3nc4sc(-c5ccc(-c6ncc(C#N)cn6)o5)nc4s3)o2)nc1
InChIInChI=1S/C22H8N8O2S2/c23-5-11-7-25-17(26-8-11)13-1-3-15(31-13)19-29-21-22(33-19)30-20(34-21)16-4-2-14(32-16)18-27-9-12(6-24)10-28-18/h1-4,7-10H
InChIKeyNZMRBHPBKHTJFK-UHFFFAOYSA-N
XLogP4.93
TPSA151.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile (CID 170275705) is 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccc(-c3nc4sc(-c5ccc(-c6ncc(C#N)cn6)o5)nc4s3)o2)nc1.
What is the InChIKey of 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile?
The InChIKey is NZMRBHPBKHTJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8N8O2S2/c23-5-11-7-25-17(26-8-11)13-1-3-15(31-13)19-29-21-22(33-19)30-20(34-21)16-4-2-14(32-16)18-27-9-12(6-24)10-28-18/h1-4,7-10H.
What are the key properties of 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile?
2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile has a molecular weight of 480.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 170275705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).