4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole

C14H9N7OS3 — CID 141120900

IUPAC4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole
SMILESc1c[nH]c(S2(c3nccs3)N=NC(c3conn3)=C2c2ccsn2)c1
InChIInChI=1S/C14H9N7OS3/c1-2-11(15-4-1)25(14-16-5-7-23-14)13(9-3-6-24-19-9)12(18-21-25)10-8-22-20-17-10/h1-8,15H
InChIKeyPOUJVEPEDKCFNY-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.44
Rot. Bonds4

About 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole

4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole (PubChem CID 141120900) has the molecular formula C14H9N7OS3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole
PubChem CID141120900
Molecular FormulaC14H9N7OS3
Molecular Weight387.48 g/mol
Exact Mass387.00
IUPAC Name4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole
SMILESc1c[nH]c(S2(c3nccs3)N=NC(c3conn3)=C2c2ccsn2)c1
InChIInChI=1S/C14H9N7OS3/c1-2-11(15-4-1)25(14-16-5-7-23-14)13(9-3-6-24-19-9)12(18-21-25)10-8-22-20-17-10/h1-8,15H
InChIKeyPOUJVEPEDKCFNY-UHFFFAOYSA-N
XLogP4.44
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[1-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole
CID 140991479

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?
The IUPAC name of 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole (CID 141120900) is 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole.
What is the SMILES notation for 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?
The canonical SMILES for 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole is c1c[nH]c(S2(c3nccs3)N=NC(c3conn3)=C2c2ccsn2)c1.
What is the InChIKey of 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?
The InChIKey is POUJVEPEDKCFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7OS3/c1-2-11(15-4-1)25(14-16-5-7-23-14)13(9-3-6-24-19-9)12(18-21-25)10-8-22-20-17-10/h1-8,15H.
What are the key properties of 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole?
4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole has a molecular weight of 387.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)thiadiazol-4-yl]oxadiazole is sourced from PubChem (CID 141120900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).