N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide

C19H25N5O2S — CID 42876814

IUPACN-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCCNc1nc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cs1
InChIInChI=1S/C19H25N5O2S/c1-2-20-19-22-16(14-27-19)18(26)24-10-8-23(9-11-24)13-17(25)21-12-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,20,22)(H,21,25)
InChIKeyKECPMPHBGHPAAP-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.65
Rot. Bonds7

About N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 42876814) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID42876814
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCCNc1nc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cs1
InChIInChI=1S/C19H25N5O2S/c1-2-20-19-22-16(14-27-19)18(26)24-10-8-23(9-11-24)13-17(25)21-12-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,20,22)(H,21,25)
InChIKeyKECPMPHBGHPAAP-UHFFFAOYSA-N
XLogP1.65
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-[(4-phenylphenyl)methyl]acetamide
CID 42876740
2-[4-[2-(benzylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 42876781
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 46079107
N-benzyl-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 30457204
N-benzyl-2-[4-(6-methoxyquinoline-2-carbonyl)piperazin-1-yl]acetamide
CID 30458840
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 42876762
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 42876759
2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 42876723
4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134052899
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide (CID 42876814) is N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide is CCNc1nc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cs1.
What is the InChIKey of N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is KECPMPHBGHPAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-2-20-19-22-16(14-27-19)18(26)24-10-8-23(9-11-24)13-17(25)21-12-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,20,22)(H,21,25).
What are the key properties of N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 42876814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).