2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

C18H23N3O3S — CID 15984510

IUPAC2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2nc(-c3ccccc3O)cs2)CC1
InChIInChI=1S/C18H23N3O3S/c1-13(2)11-24-18(23)21-9-7-20(8-10-21)17-19-15(12-25-17)14-5-3-4-6-16(14)22/h3-6,12-13,22H,7-11H2,1-2H3
InChIKeyQXUKGOFSEYCQLX-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.43
Rot. Bonds4

About 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (PubChem CID 15984510) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
PubChem CID15984510
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2nc(-c3ccccc3O)cs2)CC1
InChIInChI=1S/C18H23N3O3S/c1-13(2)11-24-18(23)21-9-7-20(8-10-21)17-19-15(12-25-17)14-5-3-4-6-16(14)22/h3-6,12-13,22H,7-11H2,1-2H3
InChIKeyQXUKGOFSEYCQLX-UHFFFAOYSA-N
XLogP3.43
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (CID 15984510) is 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(c2nc(-c3ccccc3O)cs2)CC1.
What is the InChIKey of 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The InChIKey is QXUKGOFSEYCQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(2)11-24-18(23)21-9-7-20(8-10-21)17-19-15(12-25-17)14-5-3-4-6-16(14)22/h3-6,12-13,22H,7-11H2,1-2H3.
What are the key properties of 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate has a molecular weight of 361.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 15984510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).