3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole

C9H10N4OS — CID 141120127

IUPAC3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole
SMILESC1=CSN(N2OC=CN2c2ccc[nH]2)C1
InChIInChI=1S/C9H10N4OS/c1-3-9(10-4-1)11-6-7-14-13(11)12-5-2-8-15-12/h1-4,6-8,10H,5H2
InChIKeyHYWQAOWOAMKTHE-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.85
Rot. Bonds2

About 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole

3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole (PubChem CID 141120127) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole
PubChem CID141120127
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole
SMILESC1=CSN(N2OC=CN2c2ccc[nH]2)C1
InChIInChI=1S/C9H10N4OS/c1-3-9(10-4-1)11-6-7-14-13(11)12-5-2-8-15-12/h1-4,6-8,10H,5H2
InChIKeyHYWQAOWOAMKTHE-UHFFFAOYSA-N
XLogP1.85
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 154487442
3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole
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CID 67041109
2-(1H-pyrrol-2-yl)-1H-pyridazine
CID 68572199
N-(dithian-3-yl)-1H-pyrrol-2-amine
CID 88823101
3-(1H-pyrrol-2-yl)-2H-oxadiazole
CID 91294933
1-[2-(1H-pyrrol-2-yl)-3H-pyrazol-1-yl]-2H-pyrazine
CID 141113697
N-pentyl-N-(1H-pyrrol-2-yl)nitrous amide
CID 141136684
1,1-diethyl-2-penta-1,3-dienyl-2-(1H-pyrrol-2-yl)hydrazine
CID 150849438
1,1,2-triethyl-2-(1H-pyrrol-2-yl)hydrazine
CID 151640430
bis(1H-pyrrol-2-yl)azaniumylideneazanide
CID 156695205
1-methoxy-2-(1H-pyrrol-2-yl)hydrazine
CID 163760345

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole?
The IUPAC name of 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole (CID 141120127) is 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole is C1=CSN(N2OC=CN2c2ccc[nH]2)C1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole?
The InChIKey is HYWQAOWOAMKTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-3-9(10-4-1)11-6-7-14-13(11)12-5-2-8-15-12/h1-4,6-8,10H,5H2.
What are the key properties of 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole?
3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole has a molecular weight of 222.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)-2-(3H-1,2-thiazol-2-yl)oxadiazole is sourced from PubChem (CID 141120127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).