(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide

C13H24N4OS — CID 91774625

IUPAC(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)C[C@@H](N)C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)7-10(14)11(18)16-6-4-5-9-8-19-12(15)17-9/h8,10H,4-7,14H2,1-3H3,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeyDCFABUFRYVMMDV-SNVBAGLBSA-N
MW284.43 g/mol
LogP1.54
Rot. Bonds6

About (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide

(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide (PubChem CID 91774625) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide
PubChem CID91774625
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)C[C@@H](N)C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C13H24N4OS/c1-13(2,3)7-10(14)11(18)16-6-4-5-9-8-19-12(15)17-9/h8,10H,4-7,14H2,1-3H3,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeyDCFABUFRYVMMDV-SNVBAGLBSA-N
XLogP1.54
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide (CID 91774625) is (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide is CC(C)(C)C[C@@H](N)C(=O)NCCCc1csc(N)n1.
What is the InChIKey of (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide?
The InChIKey is DCFABUFRYVMMDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-13(2,3)7-10(14)11(18)16-6-4-5-9-8-19-12(15)17-9/h8,10H,4-7,14H2,1-3H3,(H2,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide?
(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide has a molecular weight of 284.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 91774625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).