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

C19H24N4O2S — CID 49449220

IUPAC4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-13-20-14)19(25)21-15-8-10-23(11-9-15)12-17(24)22(2)16-6-4-3-5-7-16/h3-7,13,15H,8-12H2,1-2H3,(H,21,25)
InChIKeyULXLZUUSEUJUQL-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.31
Rot. Bonds5

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

4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 49449220) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID49449220
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-13-20-14)19(25)21-15-8-10-23(11-9-15)12-17(24)22(2)16-6-4-3-5-7-16/h3-7,13,15H,8-12H2,1-2H3,(H,21,25)
InChIKeyULXLZUUSEUJUQL-UHFFFAOYSA-N
XLogP2.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 49449220) is 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CC(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ULXLZUUSEUJUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-18(26-13-20-14)19(25)21-15-8-10-23(11-9-15)12-17(24)22(2)16-6-4-3-5-7-16/h3-7,13,15H,8-12H2,1-2H3,(H,21,25).
What are the key properties of 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49449220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).