tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

C14H23N3O2S — CID 23076440

IUPACtert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-10-11(2)20-12(15-10)16-6-8-17(9-7-16)13(18)19-14(3,4)5/h6-9H2,1-5H3
InChIKeyWFAYYBMHWZASBO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.82
Rot. Bonds1

About tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 23076440) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID23076440
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nametert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-10-11(2)20-12(15-10)16-6-8-17(9-7-16)13(18)19-14(3,4)5/h6-9H2,1-5H3
InChIKeyWFAYYBMHWZASBO-UHFFFAOYSA-N
XLogP2.82
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-(5-bromo-4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 165950252
4-[4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 21100262
4-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 67549095
Tert-butyl formate;4-methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
CID 161935198
4-[4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 153842118
Methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate
CID 71854976
1-[2-(Dimethylamino)ethyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylurea
CID 12791202
Tert-butyl 4-(4-chloromethyl-5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 23076433
Tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 57855158
[2-(4,5-Dimethyl-thiazol-2-ylamino)-ethyl]-carbamic Acid Tert-Butyl Ester
CID 86597775
Tert-butyl 4-{4-[(diethoxyphosphoryl)methyl]-5-methyl-1,3-thiazol-2-yl}piperazine-1-carboxylate
CID 86605756
Tert-butyl 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 87731203

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 23076440) is tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C.
What is the InChIKey of tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is WFAYYBMHWZASBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-11(2)20-12(15-10)16-6-8-17(9-7-16)13(18)19-14(3,4)5/h6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 23076440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).