2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen

C8H14N2OS — CID 144863170

IUPAC2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1ncc(C(N)=O)s1.[H][H]
InChIInChI=1S/C8H12N2OS.H2/c1-8(2,3)7-10-4-5(12-7)6(9)11;/h4H,1-3H3,(H2,9,11);1H
InChIKeyLQICJYPUMPAYIT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.79
Rot. Bonds1

About 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen

2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen (PubChem CID 144863170) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen
PubChem CID144863170
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1ncc(C(N)=O)s1.[H][H]
InChIInChI=1S/C8H12N2OS.H2/c1-8(2,3)7-10-4-5(12-7)6(9)11;/h4H,1-3H3,(H2,9,11);1H
InChIKeyLQICJYPUMPAYIT-UHFFFAOYSA-N
XLogP1.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen?
The IUPAC name of 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen (CID 144863170) is 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen is CC(C)(C)c1ncc(C(N)=O)s1.[H][H].
What is the InChIKey of 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen?
The InChIKey is LQICJYPUMPAYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.H2/c1-8(2,3)7-10-4-5(12-7)6(9)11;/h4H,1-3H3,(H2,9,11);1H.
What are the key properties of 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen?
2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen has a molecular weight of 186.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 144863170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).