2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide

C10H15IN4OS — CID 112755465

IUPAC2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)C(c1ncc(I)s1)N1CCCNCC1
InChIInChI=1S/C10H15IN4OS/c11-7-6-14-10(17-7)8(9(12)16)15-4-1-2-13-3-5-15/h6,8,13H,1-5H2,(H2,12,16)
InChIKeyYCQKABOHRXJYPF-UHFFFAOYSA-N
MW366.23 g/mol
LogP0.57
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide

2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide (PubChem CID 112755465) has the molecular formula C10H15IN4OS and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide
PubChem CID112755465
Molecular FormulaC10H15IN4OS
Molecular Weight366.23 g/mol
Exact Mass366.00
IUPAC Name2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)C(c1ncc(I)s1)N1CCCNCC1
InChIInChI=1S/C10H15IN4OS/c11-7-6-14-10(17-7)8(9(12)16)15-4-1-2-13-3-5-15/h6,8,13H,1-5H2,(H2,12,16)
InChIKeyYCQKABOHRXJYPF-UHFFFAOYSA-N
XLogP0.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide (CID 112755465) is 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide is NC(=O)C(c1ncc(I)s1)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide?
The InChIKey is YCQKABOHRXJYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4OS/c11-7-6-14-10(17-7)8(9(12)16)15-4-1-2-13-3-5-15/h6,8,13H,1-5H2,(H2,12,16).
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide?
2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide has a molecular weight of 366.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(5-iodo-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 112755465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).