N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide

C22H32N4OS — CID 9423309

IUPACN-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nc(CN3CCN(CC(=O)NC(C)(C)C)CC3)sc2C)cc1
InChIInChI=1S/C22H32N4OS/c1-16-6-8-18(9-7-16)21-17(2)28-20(23-21)15-26-12-10-25(11-13-26)14-19(27)24-22(3,4)5/h6-9H,10-15H2,1-5H3,(H,24,27)
InChIKeyRJBKFTIOYLXVRY-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.46
Rot. Bonds5

About N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 9423309) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID9423309
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC NameN-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2nc(CN3CCN(CC(=O)NC(C)(C)C)CC3)sc2C)cc1
InChIInChI=1S/C22H32N4OS/c1-16-6-8-18(9-7-16)21-17(2)28-20(23-21)15-26-12-10-25(11-13-26)14-19(27)24-22(3,4)5/h6-9H,10-15H2,1-5H3,(H,24,27)
InChIKeyRJBKFTIOYLXVRY-UHFFFAOYSA-N
XLogP3.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9423231
ethyl 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9423245
N-tert-butyl-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 9131317
N-tert-butyl-2-[4-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperazin-1-yl]acetamide
CID 9119546
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
N-tert-butyl-2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 9338035
N-tert-butyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78787324
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9390810
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 9423309) is N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is Cc1ccc(-c2nc(CN3CCN(CC(=O)NC(C)(C)C)CC3)sc2C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is RJBKFTIOYLXVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-16-6-8-18(9-7-16)21-17(2)28-20(23-21)15-26-12-10-25(11-13-26)14-19(27)24-22(3,4)5/h6-9H,10-15H2,1-5H3,(H,24,27).
What are the key properties of N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 400.59 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9423309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).