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

C22H32N4O3S — CID 30486261

IUPAC2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)c1
InChIInChI=1S/C22H32N4O3S/c1-22(2,3)19-15-30-21(24-19)14-26-10-8-25(9-11-26)13-20(27)23-17-12-16(28-4)6-7-18(17)29-5/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,23,27)
InChIKeyJWTVSNFQEABSBE-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.21
Rot. Bonds7

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

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 30486261) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID30486261
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)c1
InChIInChI=1S/C22H32N4O3S/c1-22(2,3)19-15-30-21(24-19)14-26-10-8-25(9-11-26)13-20(27)23-17-12-16(28-4)6-7-18(17)29-5/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,23,27)
InChIKeyJWTVSNFQEABSBE-UHFFFAOYSA-N
XLogP3.21
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide;oxalic acid
CID 71780553
N-(5-chloro-2-methoxyphenyl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486227
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494656
N-(1,3-benzothiazol-2-yl)-2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780557
2-(1,4-diazepan-1-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119906303
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide (CID 30486261) is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)c1.
What is the InChIKey of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is JWTVSNFQEABSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-22(2,3)19-15-30-21(24-19)14-26-10-8-25(9-11-26)13-20(27)23-17-12-16(28-4)6-7-18(17)29-5/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,23,27).
What are the key properties of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 30486261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).