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

C10H15N3O2S — CID 110710922

IUPACmethyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C10H15N3O2S/c1-8-7-16-9(11-8)12-3-5-13(6-4-12)10(14)15-2/h7H,3-6H2,1-2H3
InChIKeyDYIWXDKAIZJUAE-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.34
Rot. Bonds1

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

methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 110710922) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID110710922
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C10H15N3O2S/c1-8-7-16-9(11-8)12-3-5-13(6-4-12)10(14)15-2/h7H,3-6H2,1-2H3
InChIKeyDYIWXDKAIZJUAE-UHFFFAOYSA-N
XLogP1.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119851720
[4-(methoxymethyl)piperidin-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 120642696
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
(2S)-2-amino-3,3-dimethyl-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119851692
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 86991316
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide
CID 56800130
7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
CID 119851657
N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71992047
(1-hydroxycyclopentyl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 110907587
4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
CID 86836952
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110710921

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 110710922) is methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is COC(=O)N1CCN(c2nc(C)cs2)CC1.
What is the InChIKey of methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is DYIWXDKAIZJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8-7-16-9(11-8)12-3-5-13(6-4-12)10(14)15-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 110710922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).