N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide

C22H26N4O2S — CID 30486660

IUPACN-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccco4)cs3)CC2)c(C)c1
InChIInChI=1S/C22H26N4O2S/c1-16-5-6-18(17(2)12-16)23-21(27)13-25-7-9-26(10-8-25)14-22-24-19(15-29-22)20-4-3-11-28-20/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,23,27)
InChIKeyPQAPYJUCXJGMJI-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.78
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 30486660) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID30486660
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccco4)cs3)CC2)c(C)c1
InChIInChI=1S/C22H26N4O2S/c1-16-5-6-18(17(2)12-16)23-21(27)13-25-7-9-26(10-8-25)14-22-24-19(15-29-22)20-4-3-11-28-20/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,23,27)
InChIKeyPQAPYJUCXJGMJI-UHFFFAOYSA-N
XLogP3.78
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486533
2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 30486755
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580
methyl 4-[[2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetyl]amino]benzoate;oxalic acid
CID 71780572
2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(furan-2-yl)-1,3-thiazole
CID 30463806
2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid
CID 71780576
N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868826
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 54765813
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501
4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 30463781
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 30486660) is N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccco4)cs3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is PQAPYJUCXJGMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-5-6-18(17(2)12-16)23-21(27)13-25-7-9-26(10-8-25)14-22-24-19(15-29-22)20-4-3-11-28-20/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30486660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).