N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C22H28N6O2S — CID 24791085

IUPACN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C22H28N6O2S/c1-26(2)22-23-14-17(31-22)15-27-12-9-16(10-13-27)28-20(8-11-24-28)25-21(29)18-6-4-5-7-19(18)30-3/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,25,29)
InChIKeyOEHRJJPCSTWGRW-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.50
Rot. Bonds7

About N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24791085) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24791085
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC NameN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C22H28N6O2S/c1-26(2)22-23-14-17(31-22)15-27-12-9-16(10-13-27)28-20(8-11-24-28)25-21(29)18-6-4-5-7-19(18)30-3/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,25,29)
InChIKeyOEHRJJPCSTWGRW-UHFFFAOYSA-N
XLogP3.50
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24791085) is N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnc(N(C)C)s2)CC1.
What is the InChIKey of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is OEHRJJPCSTWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-26(2)22-23-14-17(31-22)15-27-12-9-16(10-13-27)28-20(8-11-24-28)25-21(29)18-6-4-5-7-19(18)30-3/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,25,29).
What are the key properties of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 440.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24791085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).