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

C12H14N2O2S — CID 55031724

IUPAC2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CC1)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C12H14N2O2S/c15-6-2-1-3-10-8-13-12(17-10)14-11(16)7-9-4-5-9/h8-9,15H,2,4-7H2,(H,13,14,16)
InChIKeyOOVNPCMIFOHBCS-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.62
Rot. Bonds4

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

2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55031724) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55031724
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CC1)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C12H14N2O2S/c15-6-2-1-3-10-8-13-12(17-10)14-11(16)7-9-4-5-9/h8-9,15H,2,4-7H2,(H,13,14,16)
InChIKeyOOVNPCMIFOHBCS-UHFFFAOYSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide (CID 55031724) is 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide is O=C(CC1CC1)Nc1ncc(C#CCCO)s1.
What is the InChIKey of 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OOVNPCMIFOHBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-6-2-1-3-10-8-13-12(17-10)14-11(16)7-9-4-5-9/h8-9,15H,2,4-7H2,(H,13,14,16).
What are the key properties of 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide?
2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 250.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).