N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C19H24N4O2S — CID 51129256

IUPACN-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-13-21-14)19(25)22-16-7-9-23(10-8-16)12-17(24)20-11-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,20,24)(H,22,25)
InChIKeyNTLYGSNIFKLGMM-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.96
Rot. Bonds6

About N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51129256) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51129256
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-13-21-14)19(25)22-16-7-9-23(10-8-16)12-17(24)20-11-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,20,24)(H,22,25)
InChIKeyNTLYGSNIFKLGMM-UHFFFAOYSA-N
XLogP1.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51129256) is N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NTLYGSNIFKLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-18(26-13-21-14)19(25)22-16-7-9-23(10-8-16)12-17(24)20-11-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51129256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).