tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

C19H25N3O2S — CID 66610584

IUPACtert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)24-18(23)22-10-8-14(9-11-22)17-21-12-16(25-17)13-4-6-15(20)7-5-13/h4-7,12,14H,8-11,20H2,1-3H3
InChIKeyDDYPBDUEXLLJOJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.51
Rot. Bonds2

About tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 66610584) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID66610584
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Nametert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-19(2,3)24-18(23)22-10-8-14(9-11-22)17-21-12-16(25-17)13-4-6-15(20)7-5-13/h4-7,12,14H,8-11,20H2,1-3H3
InChIKeyDDYPBDUEXLLJOJ-UHFFFAOYSA-N
XLogP4.51
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 66610584) is tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1.
What is the InChIKey of tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is DDYPBDUEXLLJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-19(2,3)24-18(23)22-10-8-14(9-11-22)17-21-12-16(25-17)13-4-6-15(20)7-5-13/h4-7,12,14H,8-11,20H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 359.50 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66610584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).