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

C18H22N4O2S — CID 18157740

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C18H22N4O2S/c1-12-16(25-18(20-12)13-5-3-2-4-6-13)17(24)21-14-7-9-22(10-8-14)11-15(19)23/h2-6,14H,7-11H2,1H3,(H2,19,23)(H,21,24)
InChIKeyCBTQRSNNJITFBG-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.80
Rot. Bonds5

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

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 18157740) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID18157740
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C18H22N4O2S/c1-12-16(25-18(20-12)13-5-3-2-4-6-13)17(24)21-14-7-9-22(10-8-14)11-15(19)23/h2-6,14H,7-11H2,1H3,(H2,19,23)(H,21,24)
InChIKeyCBTQRSNNJITFBG-UHFFFAOYSA-N
XLogP1.80
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126766581
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
N-cyclopropyl-2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 17404082
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119474665
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 120573888
4-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229216
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 18157740) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is CBTQRSNNJITFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-16(25-18(20-12)13-5-3-2-4-6-13)17(24)21-14-7-9-22(10-8-14)11-15(19)23/h2-6,14H,7-11H2,1H3,(H2,19,23)(H,21,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18157740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).