5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride

C8H14Cl2N2OS — CID 69277862

IUPAC5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride
SMILESCC(C)(C)c1cnc(C(N)=O)s1.Cl.Cl
InChIInChI=1S/C8H12N2OS.2ClH/c1-8(2,3)5-4-10-7(12-5)6(9)11;;/h4H,1-3H3,(H2,9,11);2*1H
InChIKeyJAYQOEUYIVESIQ-UHFFFAOYSA-N
MW257.19 g/mol
LogP2.38
Rot. Bonds1

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

5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride (PubChem CID 69277862) has the molecular formula C8H14Cl2N2OS and a molecular weight of 257.19 g/mol. Its IUPAC name is 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride
PubChem CID69277862
Molecular FormulaC8H14Cl2N2OS
Molecular Weight257.19 g/mol
Exact Mass256.02
IUPAC Name5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride
SMILESCC(C)(C)c1cnc(C(N)=O)s1.Cl.Cl
InChIInChI=1S/C8H12N2OS.2ClH/c1-8(2,3)5-4-10-7(12-5)6(9)11;;/h4H,1-3H3,(H2,9,11);2*1H
InChIKeyJAYQOEUYIVESIQ-UHFFFAOYSA-N
XLogP2.38
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride?
The IUPAC name of 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride (CID 69277862) is 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride?
The canonical SMILES for 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride is CC(C)(C)c1cnc(C(N)=O)s1.Cl.Cl.
What is the InChIKey of 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride?
The InChIKey is JAYQOEUYIVESIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.2ClH/c1-8(2,3)5-4-10-7(12-5)6(9)11;;/h4H,1-3H3,(H2,9,11);2*1H.
What are the key properties of 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride?
5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride has a molecular weight of 257.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69277862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).