N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C12H14N2O2S2 — CID 82723620

IUPACN-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)ONC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O2S2/c1-12(2,3)16-14-10(15)8-7-18-11(13-8)9-5-4-6-17-9/h4-7H,1-3H3,(H,14,15)
InChIKeyKTUGIYZBUGDSGK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.33
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 82723620) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID82723620
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)ONC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O2S2/c1-12(2,3)16-14-10(15)8-7-18-11(13-8)9-5-4-6-17-9/h4-7H,1-3H3,(H,14,15)
InChIKeyKTUGIYZBUGDSGK-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-[2-(aminomethyl)cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119612343
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 82723620) is N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC(C)(C)ONC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KTUGIYZBUGDSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-12(2,3)16-14-10(15)8-7-18-11(13-8)9-5-4-6-17-9/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 82723620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).