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

C17H22N4OS — CID 11290447

IUPAC2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(c1ccccc1)c1nc(C(=O)NC[C@H]2CCCNC2)cs1
InChIInChI=1S/C17H22N4OS/c1-21(14-7-3-2-4-8-14)17-20-15(12-23-17)16(22)19-11-13-6-5-9-18-10-13/h2-4,7-8,12-13,18H,5-6,9-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyYUJRZIOEXKETNY-ZDUSSCGKSA-N
MW330.46 g/mol
LogP2.64
Rot. Bonds5

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

2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 11290447) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID11290447
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(c1ccccc1)c1nc(C(=O)NC[C@H]2CCCNC2)cs1
InChIInChI=1S/C17H22N4OS/c1-21(14-7-3-2-4-8-14)17-20-15(12-23-17)16(22)19-11-13-6-5-9-18-10-13/h2-4,7-8,12-13,18H,5-6,9-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyYUJRZIOEXKETNY-ZDUSSCGKSA-N
XLogP2.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-3-yl]methyl]-2-(N-methylanilino)-1,3-thiazole-4-carboxamide bromide
CID 10302740
N-[[(3S)-1-(2-cyclohexylethyl)piperidin-3-yl]methyl]-2-(N-methylanilino)-1,3-thiazole-4-carboxamide
CID 11166582
2-(2,6-dichlorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166358028
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119461121
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 11290447) is 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is CN(c1ccccc1)c1nc(C(=O)NC[C@H]2CCCNC2)cs1.
What is the InChIKey of 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YUJRZIOEXKETNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-21(14-7-3-2-4-8-14)17-20-15(12-23-17)16(22)19-11-13-6-5-9-18-10-13/h2-4,7-8,12-13,18H,5-6,9-11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11290447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).