N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide

C26H30N4O2S — CID 55563907

IUPACN-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C26H30N4O2S/c1-3-19(2)27-22(31)18-29-14-16-30(17-15-29)26(32)24-23(20-10-6-4-7-11-20)28-25(33-24)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3,(H,27,31)
InChIKeyWOHZIRSNFUTZOL-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.15
Rot. Bonds7

About N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55563907) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID55563907
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C26H30N4O2S/c1-3-19(2)27-22(31)18-29-14-16-30(17-15-29)26(32)24-23(20-10-6-4-7-11-20)28-25(33-24)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3,(H,27,31)
InChIKeyWOHZIRSNFUTZOL-UHFFFAOYSA-N
XLogP4.15
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-cyclopropyl-2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 17404082
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 24503747
(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 9071369
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46637225
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30469221
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
N-butan-2-yl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 134043788
N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide (CID 55563907) is N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WOHZIRSNFUTZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-3-19(2)27-22(31)18-29-14-16-30(17-15-29)26(32)24-23(20-10-6-4-7-11-20)28-25(33-24)21-12-8-5-9-13-21/h4-13,19H,3,14-18H2,1-2H3,(H,27,31).
What are the key properties of N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 462.62 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2,4-diphenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55563907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).