2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole

C9H9N3S — CID 2814058

IUPAC2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole
SMILESc1ccn(-c2nnc(C3CC3)s2)c1
InChIInChI=1S/C9H9N3S/c1-2-6-12(5-1)9-11-10-8(13-9)7-3-4-7/h1-2,5-7H,3-4H2
InChIKeyQFBVSEVZDCQTGX-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.21
Rot. Bonds2

About 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole

2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole (PubChem CID 2814058) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole
PubChem CID2814058
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole
SMILESc1ccn(-c2nnc(C3CC3)s2)c1
InChIInChI=1S/C9H9N3S/c1-2-6-12(5-1)9-11-10-8(13-9)7-3-4-7/h1-2,5-7H,3-4H2
InChIKeyQFBVSEVZDCQTGX-UHFFFAOYSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole (CID 2814058) is 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole is c1ccn(-c2nnc(C3CC3)s2)c1.
What is the InChIKey of 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole?
The InChIKey is QFBVSEVZDCQTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-2-6-12(5-1)9-11-10-8(13-9)7-3-4-7/h1-2,5-7H,3-4H2.
What are the key properties of 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole?
2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole has a molecular weight of 191.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-pyrrol-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 2814058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).