ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate

C15H23N3O3S — CID 72841569

IUPACethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2sc(C(C)C)nc2C)CC1
InChIInChI=1S/C15H23N3O3S/c1-5-21-15(20)18-8-6-17(7-9-18)14(19)12-11(4)16-13(22-12)10(2)3/h10H,5-9H2,1-4H3
InChIKeyRYTIZTVEJGPOKL-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.49
Rot. Bonds3

About ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate

ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate (PubChem CID 72841569) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate
PubChem CID72841569
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nameethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2sc(C(C)C)nc2C)CC1
InChIInChI=1S/C15H23N3O3S/c1-5-21-15(20)18-8-6-17(7-9-18)14(19)12-11(4)16-13(22-12)10(2)3/h10H,5-9H2,1-4H3
InChIKeyRYTIZTVEJGPOKL-UHFFFAOYSA-N
XLogP2.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate (CID 72841569) is ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2sc(C(C)C)nc2C)CC1.
What is the InChIKey of ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is RYTIZTVEJGPOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-5-21-15(20)18-8-6-17(7-9-18)14(19)12-11(4)16-13(22-12)10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate?
ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 72841569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).