ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

C14H23N3O2S — CID 21392467

IUPACethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-5-19-13(18)17-8-6-16(7-9-17)12-15-11(10-20-12)14(2,3)4/h10H,5-9H2,1-4H3
InChIKeySMQVKWQJUFNEJD-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.72
Rot. Bonds2

About ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 21392467) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID21392467
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-5-19-13(18)17-8-6-16(7-9-17)12-15-11(10-20-12)14(2,3)4/h10H,5-9H2,1-4H3
InChIKeySMQVKWQJUFNEJD-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Tert-butyl-1,3-thiazol-2-yl)morpholine
CID 1490753
Tebatizole
CID 3085056
Tert-butyl 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 53415309
Tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 176313774
Ethyl 4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 133365996
tert-butyl (2R)-2-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 133499551
2-[4(2-Hydroxyethyl)-1-piperazinyl]-4-tert.butyl-thiazole
CID 21392455
4-Tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride
CID 21392456
4-Tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole
CID 21392457
4-Tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
CID 21392459
2-[4-(4-Tert-butyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl acetate
CID 21392460
Ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride
CID 21392471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 21392467) is ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is SMQVKWQJUFNEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-19-13(18)17-8-6-16(7-9-17)12-15-11(10-20-12)14(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 21392467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).