N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C25H29N5OS — CID 53145687

IUPACN-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C25H29N5OS/c31-24(27-21-10-14-29(15-11-21)17-19-6-2-1-3-7-19)22-18-32-25(28-22)20-8-9-23(26-16-20)30-12-4-5-13-30/h1-3,6-9,16,18,21H,4-5,10-15,17H2,(H,27,31)
InChIKeyOFNNGOFUHQZGHW-UHFFFAOYSA-N
MW447.61 g/mol
LogP4.20
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145687) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145687
Molecular FormulaC25H29N5OS
Molecular Weight447.61 g/mol
Exact Mass447.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C25H29N5OS/c31-24(27-21-10-14-29(15-11-21)17-19-6-2-1-3-7-19)22-18-32-25(28-22)20-8-9-23(26-16-20)30-12-4-5-13-30/h1-3,6-9,16,18,21H,4-5,10-15,17H2,(H,27,31)
InChIKeyOFNNGOFUHQZGHW-UHFFFAOYSA-N
XLogP4.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145687) is N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccc(N3CCCC3)nc2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OFNNGOFUHQZGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5OS/c31-24(27-21-10-14-29(15-11-21)17-19-6-2-1-3-7-19)22-18-32-25(28-22)20-8-9-23(26-16-20)30-12-4-5-13-30/h1-3,6-9,16,18,21H,4-5,10-15,17H2,(H,27,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 447.61 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).