2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole

C18H17N5S2 — CID 175940278

IUPAC2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole
SMILESc1ccc(-c2c(-c3nnc(C4CCNCC4)s3)sc3cc[nH]c23)nc1
InChIInChI=1S/C18H17N5S2/c1-2-7-20-12(3-1)14-15-13(6-10-21-15)24-16(14)18-23-22-17(25-18)11-4-8-19-9-5-11/h1-3,6-7,10-11,19,21H,4-5,8-9H2
InChIKeyMGOUAWHYJLPBRV-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole

2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole (PubChem CID 175940278) has the molecular formula C18H17N5S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole
PubChem CID175940278
Molecular FormulaC18H17N5S2
Molecular Weight367.50 g/mol
Exact Mass367.09
IUPAC Name2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole
SMILESc1ccc(-c2c(-c3nnc(C4CCNCC4)s3)sc3cc[nH]c23)nc1
InChIInChI=1S/C18H17N5S2/c1-2-7-20-12(3-1)14-15-13(6-10-21-15)24-16(14)18-23-22-17(25-18)11-4-8-19-9-5-11/h1-3,6-7,10-11,19,21H,4-5,8-9H2
InChIKeyMGOUAWHYJLPBRV-UHFFFAOYSA-N
XLogP4.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole?
The IUPAC name of 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole (CID 175940278) is 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole?
The canonical SMILES for 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole is c1ccc(-c2c(-c3nnc(C4CCNCC4)s3)sc3cc[nH]c23)nc1.
What is the InChIKey of 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole?
The InChIKey is MGOUAWHYJLPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S2/c1-2-7-20-12(3-1)14-15-13(6-10-21-15)24-16(14)18-23-22-17(25-18)11-4-8-19-9-5-11/h1-3,6-7,10-11,19,21H,4-5,8-9H2.
What are the key properties of 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole?
2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole has a molecular weight of 367.50 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 175940278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).