N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H16N2O3S — CID 112603612

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)17-8-10(16)14-11-13-7-9(18-11)5-4-6-15/h7,15H,6,8H2,1-3H3,(H,13,14,16)
InChIKeyYANVVDXOWYOYAX-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.24
Rot. Bonds3

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112603612) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112603612
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)17-8-10(16)14-11-13-7-9(18-11)5-4-6-15/h7,15H,6,8H2,1-3H3,(H,13,14,16)
InChIKeyYANVVDXOWYOYAX-UHFFFAOYSA-N
XLogP1.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 60800501
3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 62588240
(E)-3-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 112603830
3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 60801873
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 62690565
2-(3,5-dimethylpyrazol-1-yl)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 60800509
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 60801885
2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 114040448
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160497
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 60803168
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60799964

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112603612) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is YANVVDXOWYOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-12(2,3)17-8-10(16)14-11-13-7-9(18-11)5-4-6-15/h7,15H,6,8H2,1-3H3,(H,13,14,16).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 268.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112603612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).