2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide

C9H14N2OS — CID 155242557

IUPAC2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Cc1ncc(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)4-7-11-5-6(13-7)8(10)12/h5H,4H2,1-3H3,(H2,10,12)
InChIKeyVKZKHHBLPUNZDP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.83
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide

2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 155242557) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID155242557
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)Cc1ncc(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)4-7-11-5-6(13-7)8(10)12/h5H,4H2,1-3H3,(H2,10,12)
InChIKeyVKZKHHBLPUNZDP-UHFFFAOYSA-N
XLogP1.83
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide (CID 155242557) is 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide is CC(C)(C)Cc1ncc(C(N)=O)s1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VKZKHHBLPUNZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2,3)4-7-11-5-6(13-7)8(10)12/h5H,4H2,1-3H3,(H2,10,12).
What are the key properties of 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide?
2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155242557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).