2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole

C30H27N9O2S2 — CID 141050954

IUPAC2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ccco3)N(c3cccs3)C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)N2N2CCNCC2)nc1
InChIInChI=1S/C30H27N9O2S2/c1-2-8-32-21(5-1)30(22-6-3-17-40-22)38(23-7-4-19-42-23)26(28-35-13-18-41-28)24(29-36-14-20-43-29)25(27-33-9-10-34-27)39(30)37-15-11-31-12-16-37/h1-10,13-14,17-20,25,31H,11-12,15-16H2,(H,33,34)
InChIKeyFWFPZSIJDPDQLQ-UHFFFAOYSA-N
MW609.74 g/mol
LogP5.06
Rot. Bonds7

About 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole

2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole (PubChem CID 141050954) has the molecular formula C30H27N9O2S2 and a molecular weight of 609.74 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole
PubChem CID141050954
Molecular FormulaC30H27N9O2S2
Molecular Weight609.74 g/mol
Exact Mass609.17
IUPAC Name2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ccco3)N(c3cccs3)C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)N2N2CCNCC2)nc1
InChIInChI=1S/C30H27N9O2S2/c1-2-8-32-21(5-1)30(22-6-3-17-40-22)38(23-7-4-19-42-23)26(28-35-13-18-41-28)24(29-36-14-20-43-29)25(27-33-9-10-34-27)39(30)37-15-11-31-12-16-37/h1-10,13-14,17-20,25,31H,11-12,15-16H2,(H,33,34)
InChIKeyFWFPZSIJDPDQLQ-UHFFFAOYSA-N
XLogP5.06
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500609.74
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

[4-(Furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone
CID 67118652
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
CID 91088625
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
CID 91291255
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
3-[1-[1-[2-[2-[2-[4-(3-hydroxy-2-pyridinyl)-1H-imidazol-5-yl]thiophen-3-yl]furan-3-yl]-3-pyridinyl]piperazin-2-yl]piperidin-2-yl]-4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]isoquinolin-1-yl]-1H-quinolin-2-one
CID 135984016
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
CID 136502515
2-[3-[2-[2-[2-[2-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)furan-3-yl]phenyl]sulfanyl-1H-pyrrol-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-[4-(thiadiazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 136653447
2-[6-[4-[2-[2-[5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-2-pyridinyl]furan-3-yl]-1H-imidazol-4-yl]-1,3,5-triazin-2-yl]-2H-pyran-5-yl]-1,3-thiazole
CID 136655040
bis[2-[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]oxan-4-yl]methanone
CID 140127925
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
CID 140977273
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2-pyrimidin-2-yl-3H-pyrrol-4-yl]-1,3-thiazole
CID 140998060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole (CID 141050954) is 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole is c1ccc(C2(c3ccco3)N(c3cccs3)C(c3ncco3)=C(c3nccs3)C(c3ncc[nH]3)N2N2CCNCC2)nc1.
What is the InChIKey of 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole?
The InChIKey is FWFPZSIJDPDQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O2S2/c1-2-8-32-21(5-1)30(22-6-3-17-40-22)38(23-7-4-19-42-23)26(28-35-13-18-41-28)24(29-36-14-20-43-29)25(27-33-9-10-34-27)39(30)37-15-11-31-12-16-37/h1-10,13-14,17-20,25,31H,11-12,15-16H2,(H,33,34).
What are the key properties of 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole?
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole has a molecular weight of 609.74 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-piperazin-1-yl-2-pyridin-2-yl-5-(1,3-thiazol-2-yl)-1-thiophen-2-yl-4H-pyrimidin-6-yl]-1,3-oxazole is sourced from PubChem (CID 141050954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).