5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide

C8H14N4OS — CID 106242101

IUPAC5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(N)ns1
InChIInChI=1S/C8H14N4OS/c9-6-5-8(14-12-6)11-4-2-1-3-7(10)13/h5,11H,1-4H2,(H2,9,12)(H2,10,13)
InChIKeyWRATZSWLKJNAGI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.79
Rot. Bonds6

About 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide

5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide (PubChem CID 106242101) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide
PubChem CID106242101
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(N)ns1
InChIInChI=1S/C8H14N4OS/c9-6-5-8(14-12-6)11-4-2-1-3-7(10)13/h5,11H,1-4H2,(H2,9,12)(H2,10,13)
InChIKeyWRATZSWLKJNAGI-UHFFFAOYSA-N
XLogP0.79
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.79
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 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?
The IUPAC name of 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide (CID 106242101) is 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide.
What is the SMILES notation for 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?
The canonical SMILES for 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide is NC(=O)CCCCNc1cc(N)ns1.
What is the InChIKey of 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?
The InChIKey is WRATZSWLKJNAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-6-5-8(14-12-6)11-4-2-1-3-7(10)13/h5,11H,1-4H2,(H2,9,12)(H2,10,13).
What are the key properties of 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide?
5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide has a molecular weight of 214.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-1,2-thiazol-5-yl)amino]pentanamide is sourced from PubChem (CID 106242101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).