ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate

C11H16N4O3S — CID 47148348

IUPACethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C11H16N4O3S/c1-2-18-11(17)15-6-4-14(5-7-15)10(16)13-9-12-3-8-19-9/h3,8H,2,4-7H2,1H3,(H,12,13,16)
InChIKeyBYIDBTJBYACOPJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.45
Rot. Bonds2

About ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate

ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate (PubChem CID 47148348) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
PubChem CID47148348
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Nameethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C11H16N4O3S/c1-2-18-11(17)15-6-4-14(5-7-15)10(16)13-9-12-3-8-19-9/h3,8H,2,4-7H2,1H3,(H,12,13,16)
InChIKeyBYIDBTJBYACOPJ-UHFFFAOYSA-N
XLogP1.45
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Butyl 1,3-thiazol-2-ylcarbamate
CID 1562703
2-Thiazolecarbamic acid, ethyl ester
CID 77241
N-(2-morpholin-4-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1948390
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(2-thiazolyl)-
CID 3066971
4-(Thiazol-2-ylcarbamoylmethyl)-piperazine-1-carboxylic acid ethyl ester
CID 6498214
1-(2-Methyl-2-morpholin-4-ylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 45806143
1-(2-Methyl-2-morpholin-4-ylbutyl)-3-(1,3-thiazol-2-yl)urea
CID 45820419
ethyl N-[(1,3-thiazol-2-yl)carbamothioyl]carbamate
CID 11413596
1-(1-Morpholin-4-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 45822161
Isobutyl 1,3-thiazol-2-ylcarbamate
CID 686021
2,2,2-Trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 65173483
N-(1,3-thiazol-2-yl)-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
CID 86869100

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate (CID 47148348) is ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2nccs2)CC1.
What is the InChIKey of ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is BYIDBTJBYACOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-2-18-11(17)15-6-4-14(5-7-15)10(16)13-9-12-3-8-19-9/h3,8H,2,4-7H2,1H3,(H,12,13,16).
What are the key properties of ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate?
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 47148348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).