(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one

C18H21N3O2S — CID 29084883

IUPAC(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
SMILESCC(C)c1csc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)n1
InChIInChI=1S/C18H21N3O2S/c1-12(2)14-11-24-17(20-14)18(23)21-9-8-19-16(22)15(21)10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyMIDGOMZVBZWNBJ-OAHLLOKOSA-N
MW343.45 g/mol
LogP2.45
Rot. Bonds4

About (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one

(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one (PubChem CID 29084883) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
PubChem CID29084883
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
SMILESCC(C)c1csc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)n1
InChIInChI=1S/C18H21N3O2S/c1-12(2)14-11-24-17(20-14)18(23)21-9-8-19-16(22)15(21)10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyMIDGOMZVBZWNBJ-OAHLLOKOSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
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(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
CID 99936115
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
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3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
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(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97444169
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The IUPAC name of (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one (CID 29084883) is (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The canonical SMILES for (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one is CC(C)c1csc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)n1.
What is the InChIKey of (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one?
The InChIKey is MIDGOMZVBZWNBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(2)14-11-24-17(20-14)18(23)21-9-8-19-16(22)15(21)10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one?
(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one has a molecular weight of 343.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 29084883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).