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

C20H23N5OS — CID 24792925

IUPACN-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C20H23N5OS/c1-15-21-13-18(27-15)14-24-11-8-17(9-12-24)25-19(7-10-22-25)23-20(26)16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,23,26)
InChIKeyMCXPALVDTHMPLJ-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.74
Rot. Bonds5

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

N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24792925) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24792925
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C20H23N5OS/c1-15-21-13-18(27-15)14-24-11-8-17(9-12-24)25-19(7-10-22-25)23-20(26)16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,23,26)
InChIKeyMCXPALVDTHMPLJ-UHFFFAOYSA-N
XLogP3.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-[5-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
CID 71658864
N-(5-((1H-pyrazol-5-yl)carbamoyl)-2-methylphenyl)-2-(isopropylamino)thiazole-5-carboxamide
CID 11326593
2-(isopropylamino)-N-(2-methyl-5-((1-methyl-1H-pyrazol-5-yl)carbamoyl)phenyl)thiazole-5-carboxamide
CID 11395429
N-[2-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidinyl]-3-pyrazolyl]benzamide
CID 24791804
N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]-4-piperidyl]pyrazol-3-yl]-2-methyl-benzamide
CID 24791977
(2S)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73349343
(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353862
(2S)-3-(4-fluorophenyl)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353863
(2S)-3-phenyl-N-[3-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353866
N-[2-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045389
N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155514077
2-phenyl-N-{1-[1-(1,3-thiazol-2-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 24790806

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24792925) is N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)s1.
What is the InChIKey of N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is MCXPALVDTHMPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15-21-13-18(27-15)14-24-11-8-17(9-12-24)25-19(7-10-22-25)23-20(26)16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 381.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24792925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).