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

C14H24ClN3O2S — CID 21392471

IUPACethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/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;1H
InChIKeyGYNMBZWZCFKDSV-UHFFFAOYSA-N
MW333.89 g/mol
LogP3.14
Rot. Bonds2

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

ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride (PubChem CID 21392471) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride
PubChem CID21392471
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Nameethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/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;1H
InChIKeyGYNMBZWZCFKDSV-UHFFFAOYSA-N
XLogP3.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride (CID 21392471) is ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl.
What is the InChIKey of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is GYNMBZWZCFKDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/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;1H.
What are the key properties of ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride?
ethyl 4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 3.14, 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;hydrochloride is sourced from PubChem (CID 21392471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).