4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole

C24H22N4OS — CID 166625289

IUPAC4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1ccc2oc(-c3csc(C4CCN(Cc5cn6ccccc6n5)CC4)n3)cc2c1
InChIInChI=1S/C24H22N4OS/c1-2-6-21-18(5-1)13-22(29-21)20-16-30-24(26-20)17-8-11-27(12-9-17)14-19-15-28-10-4-3-7-23(28)25-19/h1-7,10,13,15-17H,8-9,11-12,14H2
InChIKeyPGNLSOJXQHYRDA-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.58
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole

4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 166625289) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID166625289
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1ccc2oc(-c3csc(C4CCN(Cc5cn6ccccc6n5)CC4)n3)cc2c1
InChIInChI=1S/C24H22N4OS/c1-2-6-21-18(5-1)13-22(29-21)20-16-30-24(26-20)17-8-11-27(12-9-17)14-19-15-28-10-4-3-7-23(28)25-19/h1-7,10,13,15-17H,8-9,11-12,14H2
InChIKeyPGNLSOJXQHYRDA-UHFFFAOYSA-N
XLogP5.58
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 166625289) is 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole is c1ccc2oc(-c3csc(C4CCN(Cc5cn6ccccc6n5)CC4)n3)cc2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is PGNLSOJXQHYRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-2-6-21-18(5-1)13-22(29-21)20-16-30-24(26-20)17-8-11-27(12-9-17)14-19-15-28-10-4-3-7-23(28)25-19/h1-7,10,13,15-17H,8-9,11-12,14H2.
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 414.53 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166625289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).