4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide

C13H23N5OS — CID 120903889

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C13H23N5OS/c1-13(2,3)16-12(19)18-6-4-17(5-7-18)9-10-8-15-11(14)20-10/h8H,4-7,9H2,1-3H3,(H2,14,15)(H,16,19)
InChIKeyJOUVFMRZKHUNIL-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.35
Rot. Bonds2

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide

4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide (PubChem CID 120903889) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
PubChem CID120903889
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C13H23N5OS/c1-13(2,3)16-12(19)18-6-4-17(5-7-18)9-10-8-15-11(14)20-10/h8H,4-7,9H2,1-3H3,(H2,14,15)(H,16,19)
InChIKeyJOUVFMRZKHUNIL-UHFFFAOYSA-N
XLogP1.35
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide 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 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide (CID 120903889) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide?
The InChIKey is JOUVFMRZKHUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-13(2,3)16-12(19)18-6-4-17(5-7-18)9-10-8-15-11(14)20-10/h8H,4-7,9H2,1-3H3,(H2,14,15)(H,16,19).
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide is sourced from PubChem (CID 120903889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).