4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C17H21N5O2S — CID 134052899

IUPAC4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2nccs2)CC1)NCc1ccccc1
InChIInChI=1S/C17H21N5O2S/c23-15(19-12-14-4-2-1-3-5-14)13-21-7-9-22(10-8-21)17(24)20-16-18-6-11-25-16/h1-6,11H,7-10,12-13H2,(H,19,23)(H,18,20,24)
InChIKeyIBPPWRKNSRAKBO-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.61
Rot. Bonds5

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

4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 134052899) has the molecular formula C17H21N5O2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID134052899
Molecular FormulaC17H21N5O2S
Molecular Weight359.45 g/mol
Exact Mass359.14
IUPAC Name4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2nccs2)CC1)NCc1ccccc1
InChIInChI=1S/C17H21N5O2S/c23-15(19-12-14-4-2-1-3-5-14)13-21-7-9-22(10-8-21)17(24)20-16-18-6-11-25-16/h1-6,11H,7-10,12-13H2,(H,19,23)(H,18,20,24)
InChIKeyIBPPWRKNSRAKBO-UHFFFAOYSA-N
XLogP1.61
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 51111757
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 86992640
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
4-[2-(benzylamino)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)-1,4-diazepane-1-carboxamide
CID 3800290
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794432
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 134052899) is 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2nccs2)CC1)NCc1ccccc1.
What is the InChIKey of 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is IBPPWRKNSRAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-15(19-12-14-4-2-1-3-5-14)13-21-7-9-22(10-8-21)17(24)20-16-18-6-11-25-16/h1-6,11H,7-10,12-13H2,(H,19,23)(H,18,20,24).
What are the key properties of 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 134052899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).