2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C20H28N4OS — CID 120775121

IUPAC2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CN2CCC(N)C(C)(C)C2)cs1
InChIInChI=1S/C20H28N4OS/c1-14-6-4-5-7-16(14)23-18(25)10-19-22-15(12-26-19)11-24-9-8-17(21)20(2,3)13-24/h4-7,12,17H,8-11,13,21H2,1-3H3,(H,23,25)
InChIKeyVJLAEMWXURBGMQ-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.19
Rot. Bonds5

About 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 120775121) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID120775121
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CN2CCC(N)C(C)(C)C2)cs1
InChIInChI=1S/C20H28N4OS/c1-14-6-4-5-7-16(14)23-18(25)10-19-22-15(12-26-19)11-24-9-8-17(21)20(2,3)13-24/h4-7,12,17H,8-11,13,21H2,1-3H3,(H,23,25)
InChIKeyVJLAEMWXURBGMQ-UHFFFAOYSA-N
XLogP3.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 86976652
N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 126779286
ethyl 1-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylate
CID 78787377
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477
2-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 112784143
2-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 55356519
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120775782
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782314
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 120775121) is 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1nc(CN2CCC(N)C(C)(C)C2)cs1.
What is the InChIKey of 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is VJLAEMWXURBGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14-6-4-5-7-16(14)23-18(25)10-19-22-15(12-26-19)11-24-9-8-17(21)20(2,3)13-24/h4-7,12,17H,8-11,13,21H2,1-3H3,(H,23,25).
What are the key properties of 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 372.54 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 120775121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).