N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide

C10H16N2O3S2 — CID 21391952

IUPACN-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)(=O)c1ncc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H16N2O3S2/c1-5-17(14,15)9-11-6-7(16-9)8(13)12-10(2,3)4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyQEHHUEGATMFIBT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.47
Rot. Bonds3

About N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide

N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide (PubChem CID 21391952) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
PubChem CID21391952
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC NameN-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)(=O)c1ncc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H16N2O3S2/c1-5-17(14,15)9-11-6-7(16-9)8(13)12-10(2,3)4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyQEHHUEGATMFIBT-UHFFFAOYSA-N
XLogP1.47
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide (CID 21391952) is N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide is CCS(=O)(=O)c1ncc(C(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The InChIKey is QEHHUEGATMFIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-5-17(14,15)9-11-6-7(16-9)8(13)12-10(2,3)4/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethylsulfonyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21391952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).