tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate

C14H24N4O2S — CID 170553810

IUPACtert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CN(c2cnc(N)s2)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O2S/c1-9-7-17(11-6-16-12(15)21-11)8-10(2)18(9)13(19)20-14(3,4)5/h6,9-10H,7-8H2,1-5H3,(H2,15,16)
InChIKeySSQGBLOHNAPDEJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.56
Rot. Bonds1

About tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate

tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 170553810) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate
PubChem CID170553810
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nametert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CN(c2cnc(N)s2)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O2S/c1-9-7-17(11-6-16-12(15)21-11)8-10(2)18(9)13(19)20-14(3,4)5/h6,9-10H,7-8H2,1-5H3,(H2,15,16)
InChIKeySSQGBLOHNAPDEJ-UHFFFAOYSA-N
XLogP2.56
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-amino-1,3,4-thiadiazol-2-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 175481460
tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
tert-butyl (2S,6R)-2,6-dimethyl-4-(2-methylpyrimidin-5-yl)piperazine-1-carboxylate
CID 156524124
tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895164
tert-butyl (2R,6S)-2,6-dimethyl-4-(5-phenylmethoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 167450386
tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 129258263
tert-butyl (2S,6R)-4-(5,7-dichloro-1,8-naphthyridin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 168978957
tert-butyl 4-(4-amino-3-hydroxyphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 156708851
tert-butyl (2S,6R)-4-[4-(aminomethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168933658
tert-butyl (2S,6S)-4-(7-chloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 154644154
tert-butyl 7-(2-amino-1,3-thiazol-5-yl)-9-oxa-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 170648004
tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate
CID 129384832

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate (CID 170553810) is tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate is CC1CN(c2cnc(N)s2)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is SSQGBLOHNAPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9-7-17(11-6-16-12(15)21-11)8-10(2)18(9)13(19)20-14(3,4)5/h6,9-10H,7-8H2,1-5H3,(H2,15,16).
What are the key properties of tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate?
tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 170553810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).