tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

C19H23N3O3S — CID 46684680

IUPACtert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H23N3O3S/c1-19(2,3)25-18(24)22-11-9-21(10-12-22)17(23)15-13-26-16(20-15)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyHCNLRDXXCZPVPH-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 46684680) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID46684680
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nametert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H23N3O3S/c1-19(2,3)25-18(24)22-11-9-21(10-12-22)17(23)15-13-26-16(20-15)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyHCNLRDXXCZPVPH-UHFFFAOYSA-N
XLogP3.50
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 60597678
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
tert-butyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 58229734
[4-(3-methylphenyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 27049058
tert-butyl 4-(8-phenylimidazo[1,2-a]pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 53188849
2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
(3-methylphenyl)-[4-(2-phenyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 55564448
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55683750
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 146087674

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (CID 46684680) is tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is HCNLRDXXCZPVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-19(2,3)25-18(24)22-11-9-21(10-12-22)17(23)15-13-26-16(20-15)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 46684680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).