5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide

C7H10N2O2S — CID 172999850

IUPAC5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide
SMILESCCCNC(=O)c1cc(=O)s[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-3-8-7(11)5-4-6(10)12-9-5/h4,9H,2-3H2,1H3,(H,8,11)
InChIKeyIMRDPXAVNHWFBE-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.58
Rot. Bonds3

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

5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide (PubChem CID 172999850) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide
PubChem CID172999850
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide
SMILESCCCNC(=O)c1cc(=O)s[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-3-8-7(11)5-4-6(10)12-9-5/h4,9H,2-3H2,1H3,(H,8,11)
InChIKeyIMRDPXAVNHWFBE-UHFFFAOYSA-N
XLogP0.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide (CID 172999850) is 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide is CCCNC(=O)c1cc(=O)s[nH]1.
What is the InChIKey of 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide?
The InChIKey is IMRDPXAVNHWFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-8-7(11)5-4-6(10)12-9-5/h4,9H,2-3H2,1H3,(H,8,11).
What are the key properties of 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide?
5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide has a molecular weight of 186.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propyl-2H-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 172999850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).