N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide

C8H12N2O2S — CID 172999689

IUPACN-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(=O)s[nH]1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)9-7(12)5-4-6(11)13-10-5/h4,10H,1-3H3,(H,9,12)
InChIKeyGKXGWKDNRDYLNJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.96
Rot. Bonds1

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

N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide (PubChem CID 172999689) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide
PubChem CID172999689
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(=O)s[nH]1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)9-7(12)5-4-6(11)13-10-5/h4,10H,1-3H3,(H,9,12)
InChIKeyGKXGWKDNRDYLNJ-UHFFFAOYSA-N
XLogP0.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-tert-butyl-4-(125I)iodo(125I)benzamide
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N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide (CID 172999689) is N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide is CC(C)(C)NC(=O)c1cc(=O)s[nH]1.
What is the InChIKey of N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
The InChIKey is GKXGWKDNRDYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,3)9-7(12)5-4-6(11)13-10-5/h4,10H,1-3H3,(H,9,12).
What are the key properties of N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-oxo-2H-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 172999689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).