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

C11H17N3O2S — CID 110710970

IUPACmethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C11H17N3O2S/c1-8-9(2)17-10(12-8)13-4-6-14(7-5-13)11(15)16-3/h4-7H2,1-3H3
InChIKeyUCWJNMQIYPDEGP-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.65
Rot. Bonds1

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

methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 110710970) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID110710970
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C11H17N3O2S/c1-8-9(2)17-10(12-8)13-4-6-14(7-5-13)11(15)16-3/h4-7H2,1-3H3
InChIKeyUCWJNMQIYPDEGP-UHFFFAOYSA-N
XLogP1.65
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 110710970) is methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is COC(=O)N1CCN(c2nc(C)c(C)s2)CC1.
What is the InChIKey of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is UCWJNMQIYPDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-9(2)17-10(12-8)13-4-6-14(7-5-13)11(15)16-3/h4-7H2,1-3H3.
What are the key properties of methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 110710970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).