5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide

C9H11ClN4OS — CID 106238866

IUPAC5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide
SMILESN#Cc1sc(NCCCCC(N)=O)nc1Cl
InChIInChI=1S/C9H11ClN4OS/c10-8-6(5-11)16-9(14-8)13-4-2-1-3-7(12)15/h1-4H2,(H2,12,15)(H,13,14)
InChIKeyQTEZGIJOZRAXGQ-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.74
Rot. Bonds6

About 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide

5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide (PubChem CID 106238866) has the molecular formula C9H11ClN4OS and a molecular weight of 258.73 g/mol. Its IUPAC name is 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide
PubChem CID106238866
Molecular FormulaC9H11ClN4OS
Molecular Weight258.73 g/mol
Exact Mass258.03
IUPAC Name5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide
SMILESN#Cc1sc(NCCCCC(N)=O)nc1Cl
InChIInChI=1S/C9H11ClN4OS/c10-8-6(5-11)16-9(14-8)13-4-2-1-3-7(12)15/h1-4H2,(H2,12,15)(H,13,14)
InChIKeyQTEZGIJOZRAXGQ-UHFFFAOYSA-N
XLogP1.74
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.74
H-Bond Donors ≤ 52
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-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide?
The IUPAC name of 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide (CID 106238866) is 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide.
What is the SMILES notation for 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide?
The canonical SMILES for 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide is N#Cc1sc(NCCCCC(N)=O)nc1Cl.
What is the InChIKey of 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide?
The InChIKey is QTEZGIJOZRAXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4OS/c10-8-6(5-11)16-9(14-8)13-4-2-1-3-7(12)15/h1-4H2,(H2,12,15)(H,13,14).
What are the key properties of 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide?
5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide has a molecular weight of 258.73 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide is sourced from PubChem (CID 106238866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).