2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate

C13H21N3O2S — CID 11992511

IUPAC2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)10-18-12(17)16-7-5-15(6-8-16)11-14-4-9-19-11/h4,9H,5-8,10H2,1-3H3
InChIKeySCVWGAKOTHMTPJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.45
Rot. Bonds2

About 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate

2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 11992511) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID11992511
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)10-18-12(17)16-7-5-15(6-8-16)11-14-4-9-19-11/h4,9H,5-8,10H2,1-3H3
InChIKeySCVWGAKOTHMTPJ-UHFFFAOYSA-N
XLogP2.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 11992511) is 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate is CC(C)(C)COC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is SCVWGAKOTHMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2,3)10-18-12(17)16-7-5-15(6-8-16)11-14-4-9-19-11/h4,9H,5-8,10H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate?
2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 11992511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).