2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole

C19H23N5OS — CID 70766359

IUPAC2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole
SMILESCOCCn1ccnc1C1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H23N5OS/c1-25-14-13-23-12-9-20-17(23)15-7-10-24(11-8-15)19-22-21-18(26-19)16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
InChIKeyWDHFWDAOUYOXAS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.43
Rot. Bonds6

About 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole

2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole (PubChem CID 70766359) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole
PubChem CID70766359
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole
SMILESCOCCn1ccnc1C1CCN(c2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H23N5OS/c1-25-14-13-23-12-9-20-17(23)15-7-10-24(11-8-15)19-22-21-18(26-19)16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
InChIKeyWDHFWDAOUYOXAS-UHFFFAOYSA-N
XLogP3.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole (CID 70766359) is 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole is COCCn1ccnc1C1CCN(c2nnc(-c3ccccc3)s2)CC1.
What is the InChIKey of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole?
The InChIKey is WDHFWDAOUYOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-25-14-13-23-12-9-20-17(23)15-7-10-24(11-8-15)19-22-21-18(26-19)16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3.
What are the key properties of 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole?
2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole has a molecular weight of 369.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 70766359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).