2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide

C11H15N3O2S — CID 114040448

IUPAC2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C)CC(=O)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C11H15N3O2S/c1-14(2)8-10(16)13-11-12-7-9(17-11)5-3-4-6-15/h7,15H,4,6,8H2,1-2H3,(H,12,13,16)
InChIKeyKBDLMVCRNBQGOY-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.38
Rot. Bonds4

About 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide

2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 114040448) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
PubChem CID114040448
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C)CC(=O)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C11H15N3O2S/c1-14(2)8-10(16)13-11-12-7-9(17-11)5-3-4-6-15/h7,15H,4,6,8H2,1-2H3,(H,12,13,16)
InChIKeyKBDLMVCRNBQGOY-UHFFFAOYSA-N
XLogP0.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide (CID 114040448) is 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide is CN(C)CC(=O)Nc1ncc(C#CCCO)s1.
What is the InChIKey of 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KBDLMVCRNBQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14(2)8-10(16)13-11-12-7-9(17-11)5-3-4-6-15/h7,15H,4,6,8H2,1-2H3,(H,12,13,16).
What are the key properties of 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 253.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 114040448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).