methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

C13H19N3O3S — CID 72937370

IUPACmethyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCCc1nc(C(=O)N2CCN(C(=O)OC)CC2)cs1
InChIInChI=1S/C13H19N3O3S/c1-3-4-11-14-10(9-20-11)12(17)15-5-7-16(8-6-15)13(18)19-2/h9H,3-8H2,1-2H3
InChIKeyBWEXHLVBWMTFPM-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.62
Rot. Bonds3

About methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 72937370) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID72937370
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Namemethyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCCc1nc(C(=O)N2CCN(C(=O)OC)CC2)cs1
InChIInChI=1S/C13H19N3O3S/c1-3-4-11-14-10(9-20-11)12(17)15-5-7-16(8-6-15)13(18)19-2/h9H,3-8H2,1-2H3
InChIKeyBWEXHLVBWMTFPM-UHFFFAOYSA-N
XLogP1.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (CID 72937370) is methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is CCCc1nc(C(=O)N2CCN(C(=O)OC)CC2)cs1.
What is the InChIKey of methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is BWEXHLVBWMTFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-4-11-14-10(9-20-11)12(17)15-5-7-16(8-6-15)13(18)19-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-propyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 72937370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).