methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate

C12H18N4O3S — CID 66388535

IUPACmethyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C12H18N4O3S/c1-8(13)10-14-9(7-20-10)11(17)15-3-5-16(6-4-15)12(18)19-2/h7-8H,3-6,13H2,1-2H3
InChIKeySSTYUVWSYMTQFS-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.69
Rot. Bonds2

About methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate

methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate (PubChem CID 66388535) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
PubChem CID66388535
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Namemethyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C12H18N4O3S/c1-8(13)10-14-9(7-20-10)11(17)15-3-5-16(6-4-15)12(18)19-2/h7-8H,3-6,13H2,1-2H3
InChIKeySSTYUVWSYMTQFS-UHFFFAOYSA-N
XLogP0.69
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 66388121
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 102736248
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
N-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 66388122
2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
CID 66388714
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
1-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110694205
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409397
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate (CID 66388535) is methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2csc(C(C)N)n2)CC1.
What is the InChIKey of methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is SSTYUVWSYMTQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8(13)10-14-9(7-20-10)11(17)15-3-5-16(6-4-15)12(18)19-2/h7-8H,3-6,13H2,1-2H3.
What are the key properties of methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 66388535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).