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

C19H25N5O3S — CID 71662402

IUPACtert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccnc3)s2)CC1
InChIInChI=1S/C19H25N5O3S/c1-19(2,3)27-18(26)24-9-6-13(7-10-24)22-17-23-16(20)15(28-17)14(25)12-5-4-8-21-11-12/h4-5,8,11,13H,6-7,9-10,20H2,1-3H3,(H,22,23)
InChIKeyAKVVHAABPCRHBK-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.16
Rot. Bonds4

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

tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 71662402) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID71662402
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Nametert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccnc3)s2)CC1
InChIInChI=1S/C19H25N5O3S/c1-19(2,3)27-18(26)24-9-6-13(7-10-24)22-17-23-16(20)15(28-17)14(25)12-5-4-8-21-11-12/h4-5,8,11,13H,6-7,9-10,20H2,1-3H3,(H,22,23)
InChIKeyAKVVHAABPCRHBK-UHFFFAOYSA-N
XLogP3.16
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (CID 71662402) is tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccnc3)s2)CC1.
What is the InChIKey of tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is AKVVHAABPCRHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-19(2,3)27-18(26)24-9-6-13(7-10-24)22-17-23-16(20)15(28-17)14(25)12-5-4-8-21-11-12/h4-5,8,11,13H,6-7,9-10,20H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 403.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 71662402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).