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

C22H24N4O2S — CID 117081865

IUPACN-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cn1
InChIInChI=1S/C22H24N4O2S/c1-28-20-8-7-17(13-23-20)22-25-19(15-29-22)21(27)24-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,27)
InChIKeyNMGSCJMGGBCMNC-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.61
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 117081865) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID117081865
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cn1
InChIInChI=1S/C22H24N4O2S/c1-28-20-8-7-17(13-23-20)22-25-19(15-29-22)21(27)24-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,27)
InChIKeyNMGSCJMGGBCMNC-UHFFFAOYSA-N
XLogP3.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.61
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-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 117081865) is N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cn1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NMGSCJMGGBCMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-28-20-8-7-17(13-23-20)22-25-19(15-29-22)21(27)24-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.61, 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-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117081865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).