N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C23H26N4O2S — CID 3223682

IUPACN-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCCOc1ccc(-c2csc(N3CCN(C(=O)NCc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H26N4O2S/c1-2-29-20-10-8-19(9-11-20)21-17-30-23(25-21)27-14-12-26(13-15-27)22(28)24-16-18-6-4-3-5-7-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)
InChIKeyCJGCRZJNHOKXJY-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.24
Rot. Bonds6

About N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 3223682) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID3223682
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCCOc1ccc(-c2csc(N3CCN(C(=O)NCc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H26N4O2S/c1-2-29-20-10-8-19(9-11-20)21-17-30-23(25-21)27-14-12-26(13-15-27)22(28)24-16-18-6-4-3-5-7-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)
InChIKeyCJGCRZJNHOKXJY-UHFFFAOYSA-N
XLogP4.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 1447422
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
N-benzyl-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447246
[1-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-diphenylmethanol
CID 90316479
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide
CID 57199831
[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 16764899
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1438361
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759916
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 3223682) is N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is CCOc1ccc(-c2csc(N3CCN(C(=O)NCc4ccccc4)CC3)n2)cc1.
What is the InChIKey of N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is CJGCRZJNHOKXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-2-29-20-10-8-19(9-11-20)21-17-30-23(25-21)27-14-12-26(13-15-27)22(28)24-16-18-6-4-3-5-7-18/h3-11,17H,2,12-16H2,1H3,(H,24,28).
What are the key properties of N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 3223682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).