2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide

C9H14N2OS2 — CID 49346804

IUPAC2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCCCSCC(=O)NCc1cscn1
InChIInChI=1S/C9H14N2OS2/c1-2-3-13-6-9(12)10-4-8-5-14-7-11-8/h5,7H,2-4,6H2,1H3,(H,10,12)
InChIKeyNHRQWWGJLUZTRL-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.90
Rot. Bonds6

About 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide

2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 49346804) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID49346804
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCCCSCC(=O)NCc1cscn1
InChIInChI=1S/C9H14N2OS2/c1-2-3-13-6-9(12)10-4-8-5-14-7-11-8/h5,7H,2-4,6H2,1H3,(H,10,12)
InChIKeyNHRQWWGJLUZTRL-UHFFFAOYSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 49346804) is 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide is CCCSCC(=O)NCc1cscn1.
What is the InChIKey of 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is NHRQWWGJLUZTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-2-3-13-6-9(12)10-4-8-5-14-7-11-8/h5,7H,2-4,6H2,1H3,(H,10,12).
What are the key properties of 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 230.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 49346804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).